UCSF

ZINC41196345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.62 8.17 -31.72 2 2 1 29 287.452 3
Mid Mid (pH 6-8) 3.62 7.12 -5.28 1 2 0 25 286.444 3

Activity (Go SEA)

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