UCSF

ZINC05850128

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 16 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) 3.28 8.78 -39.95 1 2 1 14 242.77 8
Mid Mid (pH 6-8) 3.28 6.64 -3.81 0 2 0 12 241.762 8

Activity (Go SEA)

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