UCSF

ZINC38000048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 12 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) -0.25 0.33 -102.91 6 4 2 73 170.26 5
Mid Mid (pH 6-8) -0.25 -0.84 -44.25 5 4 1 68 169.252 5

Activity (Go SEA)

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