UCSF

ZINC60023489

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 36 No

Popular Name: (6R,7S)-7-[[(2R)-2-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-3-oxo-propanoyl]amino]-7-methoxy-8-oxo-3-(1 (6R,7S)-7-[[(2R)-2-(3-chloro-4-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.47 4.26 -116.31 2 12 -2 185 571.014 9 ↓
Hi High (pH 8-9.5) 1.47 5.03 -198.06 1 12 -3 188 570.006 9 ↓

Activity (Go SEA)

Rings

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

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