UCSF

ZINC37806189

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.13 1.39 -50.69 3 6 1 69 271.385 7
Mid Mid (pH 6-8) -0.13 3.52 -98.75 4 6 2 70 272.393 7

Activity (Go SEA)

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