UCSF

ZINC34897303

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 No

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) 5.94 10.8 -10.53 0 4 0 38 363.505 8
Mid Mid (pH 6-8) 5.94 13.54 -39.25 1 4 1 39 364.513 8

Activity (Go SEA)

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