UCSF

ZINC42896788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.93 5.74 -6.37 0 3 0 30 233.311 4
Mid Mid (pH 6-8) 1.93 7.85 -42.41 1 3 1 31 234.319 4

Activity (Go SEA)

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