UCSF

ZINC44813771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) 0.56 3.49 -9.85 1 4 0 66 203.245 4
Lo Low (pH 4.5-6) 0.56 3.94 -41.53 2 4 1 67 204.253 4

Activity (Go SEA)

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