UCSF

ZINC69773429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 0.51 -0.51 -10 2 6 0 65 321.421 8
Mid Mid (pH 6-8) 0.51 1.84 -36.39 3 6 1 66 322.429 8

Activity (Go SEA)

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