UCSF

ZINC34698863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 37 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) 6.47 17.29 -35.62 1 4 1 34 497.703 8
Mid Mid (pH 6-8) 6.47 14.79 -10.2 0 4 0 33 496.695 8

Activity (Go SEA)

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