UCSF

ZINC21778701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 17 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) 1.05 7.44 -38.9 2 5 1 49 232.311 2
Mid Mid (pH 6-8) 1.05 5.22 -7.92 1 5 0 48 231.303 2

Activity (Go SEA)

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