UCSF

ZINC62667772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 14 Yes

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) 3.21 5.04 -25.89 3 3 1 42 194.302 2
Hi High (pH 8-9.5) 3.21 4.92 -5.17 2 3 0 41 193.294 2
Mid Mid (pH 6-8) 3.21 4.93 -5.95 2 3 0 41 193.294 2
Lo Low (pH 4.5-6) 3.21 5.06 -25.63 3 3 1 42 194.302 2

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

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