UCSF

ZINC35384562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -2.17 -3.35 -47.35 3 9 -1 148 308.317 6
Mid Mid (pH 6-8) -1.71 -5.63 -87.32 2 9 -2 151 307.309 6

Activity (Go SEA)

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