UCSF

ZINC53134085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.25 8.53 -11.71 0 2 0 30 225.291 4
Lo Low (pH 4.5-6) 2.25 8.99 -37.13 1 2 1 31 226.299 4

Activity (Go SEA)

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