UCSF

ZINC34993144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.66 6.37 -22.15 3 4 0 46 292.447 9
Mid Mid (pH 6-8) 2.66 7.43 -39.7 3 4 1 49 292.447 9
Mid Mid (pH 6-8) 2.66 6.26 -9.53 2 4 0 44 291.439 9

Activity (Go SEA)

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