UCSF

ZINC07425726

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 30 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) 2.21 7.9 -15.2 3 9 0 114 415.494 8
Mid Mid (pH 6-8) 2.21 8.34 -44.1 4 9 1 115 416.502 8

Activity (Go SEA)

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