UCSF

ZINC41191674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 1.66 4.57 -10.47 1 4 0 43 262.382 4
Mid Mid (pH 6-8) 1.66 5.7 -38.29 2 4 1 47 263.39 4

Activity (Go SEA)

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