UCSF

ZINC07107282

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 23 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) 3.73 10.36 -44.03 2 4 1 37 316.469 4
Mid Mid (pH 6-8) 3.73 8.15 -5.73 1 4 0 36 315.461 4

Activity (Go SEA)

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