UCSF

ZINC42768220

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.18 10.16 -38.74 1 3 1 25 281.395 7
Hi High (pH 8-9.5) 3.18 7.7 -5.16 0 3 0 24 280.387 7

Activity (Go SEA)

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