UCSF

ZINC09065147

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 24 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) 4.23 9.17 -18.62 1 7 0 101 405.233 4
Mid Mid (pH 6-8) 4.30 8.27 -37.57 0 7 -1 107 404.225 4

Activity (Go SEA)

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