UCSF

ZINC42910501

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) 3.20 8.11 -51.39 3 3 1 61 281.379 5
Hi High (pH 8-9.5) 3.20 8.11 -9.6 2 3 0 59 280.371 5

Activity (Go SEA)

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