UCSF

ZINC19855409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 4.18 10.1 -13.67 1 5 0 50 376.504 7
Mid Mid (pH 6-8) 4.18 12.36 -53.25 2 5 1 51 377.512 7
Mid Mid (pH 6-8) 4.18 10.51 -35.27 2 5 1 51 377.512 7
Lo Low (pH 4.5-6) 4.18 12.77 -115.87 3 5 2 53 378.52 7

Activity (Go SEA)

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