UCSF

ZINC35498231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 3.53 7.16 -44.31 2 3 1 35 296.799 3
Mid Mid (pH 6-8) 3.53 6.1 -5.71 1 3 0 30 295.791 3

Activity (Go SEA)

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