UCSF

ZINC61823725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.89 5.78 -46.3 1 5 -1 72 241.311 4
Lo Low (pH 4.5-6) 1.89 3.81 -10.94 2 5 0 70 242.319 4

Activity (Go SEA)

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