UCSF

ZINC53156296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.08 5.13 -6.23 2 2 0 32 279.742 5
Lo Low (pH 4.5-6) 3.08 6.56 -52.7 3 2 1 37 280.75 5

Activity (Go SEA)

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