UCSF

ZINC19666995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 3.50 6.07 -8.92 1 3 0 45 246.354 6
Mid Mid (pH 6-8) 3.50 7.45 -53.1 2 3 1 50 247.362 6

Activity (Go SEA)

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