UCSF

ZINC42910151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.82 7.91 -54.24 3 3 1 45 280.395 3
Hi High (pH 8-9.5) 2.82 7.58 -8.25 2 3 0 44 279.387 3
Mid Mid (pH 6-8) 2.82 8.33 -96.31 4 3 2 47 281.403 3

Activity (Go SEA)

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