UCSF

ZINC31829083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 17 No

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) 1.97 7.97 -48.6 1 4 1 55 237.323 3
Mid Mid (pH 6-8) 1.97 5.65 -6.02 0 4 0 53 236.315 3

Activity (Go SEA)

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