UCSF

ZINC20083715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 2.12 6.67 -36.31 2 2 1 16 227.397 5
Mid Mid (pH 6-8) 2.12 5.42 -39.29 2 2 1 20 227.397 5
Mid Mid (pH 6-8) 2.12 7.95 -116.06 3 2 2 21 228.405 5

Activity (Go SEA)

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