UCSF

ZINC05202651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 20 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) 1.92 9.09 -40.76 1 3 1 25 293.387 2
Mid Mid (pH 6-8) 1.92 6.86 -9.56 0 3 0 24 292.379 2

Activity (Go SEA)

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