UCSF

ZINC42782194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.90 3.91 -51.62 3 4 1 65 325.376 7
Hi High (pH 8-9.5) 0.90 3.6 -8.19 2 4 0 63 324.368 7

Activity (Go SEA)

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