UCSF

ZINC35480252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 1.91 6.29 -48.3 2 7 1 84 358.484 7
Mid Mid (pH 6-8) 1.91 4.06 -10.65 1 7 0 83 357.476 7

Activity (Go SEA)

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