UCSF

ZINC60707746

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 3.72 8.71 -37.93 2 2 1 29 296.221 5
Lo Low (pH 4.5-6) 3.72 9.18 -89.99 3 2 2 31 297.229 5

Activity (Go SEA)

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