UCSF

ZINC36886163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) -0.58 4.85 -33.37 1 5 0 57 242.319 7
Lo Low (pH 4.5-6) -0.58 7.13 -78.95 2 5 1 58 243.327 7

Activity (Go SEA)

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