UCSF

ZINC24716902

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 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) 0.13 1.96 -18.26 1 3 0 41 160.176 1
Mid Mid (pH 6-8) 0.13 2.94 -37.64 2 3 1 43 161.184 1

Activity (Go SEA)

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