UCSF

ZINC19912982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.94 8.78 -103.08 3 2 2 21 228.424 7
Mid Mid (pH 6-8) 2.94 6.58 -39.43 2 2 1 20 227.416 7

Activity (Go SEA)

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