UCSF

ZINC44609925

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.81 4.52 -38.95 2 3 1 33 254.423 6
Lo Low (pH 4.5-6) 1.81 6.85 -113.29 3 3 2 34 255.431 6

Activity (Go SEA)

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