UCSF

ZINC43404424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 3.15 6.41 -14.44 1 3 0 57 289.132 1
Mid Mid (pH 6-8) 3.60 4.48 -45.57 0 3 -1 60 288.124 1

Activity (Go SEA)

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