UCSF

ZINC28257121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 Yes

Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-(3-methanesulfonamidophenyl)acetyl]amino]-8-oxo-3-(trifluoromethyl)-1-aza (6R,7S)-7-[[(2R)-2-amino-2-(3-me…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.93 1.07 -111.42 5 10 0 163 476.433 7 ↓
Hi High (pH 8-9.5) -1.93 0.82 -104.93 3 10 -2 164 474.417 7 ↓
Mid Mid (pH 6-8) -1.93 1.14 -129.02 4 10 -1 165 475.425 7 ↓
Mid Mid (pH 6-8) -1.93 0.75 -65.07 4 10 -1 162 475.425 7 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.