UCSF

ZINC61819204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 13 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) 0.06 1.24 -104.25 5 3 2 52 188.315 3
Mid Mid (pH 6-8) 0.06 -1.04 -42.26 4 3 1 51 187.307 3

Activity (Go SEA)

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