UCSF

ZINC05031642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 22 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) 1.48 8.43 -44.27 1 5 1 51 300.382 3
Mid Mid (pH 6-8) 1.48 6.21 -9.18 0 5 0 50 299.374 3

Activity (Go SEA)

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