UCSF

ZINC52258801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.32 6.81 -48.11 1 3 -1 60 221.276 3
Lo Low (pH 4.5-6) 2.32 4.84 -7.59 2 3 0 58 222.284 3

Activity (Go SEA)

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