UCSF

ZINC60709180

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 20 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) 3.07 7.43 -44.73 2 3 1 39 291.802 6
Lo Low (pH 4.5-6) 3.07 7.89 -99.98 3 3 2 40 292.81 6

Activity (Go SEA)

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