UCSF

ZINC05185720

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 26 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) 1.56 6.35 -17.64 3 8 0 135 353.334 7
Mid Mid (pH 6-8) 1.65 0.8 -49.44 3 8 1 134 354.342 8

Activity (Go SEA)

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