UCSF

ZINC42062223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) -1.35 -0.04 -5.12 3 3 0 55 184.145 0
Mid Mid (pH 6-8) -1.35 0.28 -42.93 4 3 1 57 185.153 0
Mid Mid (pH 6-8) -1.35 0.28 -42.93 4 3 1 57 185.153 0

Activity (Go SEA)

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