UCSF

ZINC11730762

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 16 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) 3.27 -1.35 -7.39 2 3 0 48 214.268 2
Mid Mid (pH 6-8) 3.27 -0.76 -25.16 3 3 1 49 215.276 2

Activity (Go SEA)

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