UCSF

ZINC20260167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.19 7.39 -32.5 3 2 1 30 245.39 1
Mid Mid (pH 6-8) 1.19 7.61 -116.99 4 2 2 32 246.398 1

Activity (Go SEA)

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