UCSF

ZINC69238167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 2.43 8.41 -34.84 2 4 1 57 272.372 6
Mid Mid (pH 6-8) 2.61 6.7 -27.02 1 4 0 64 271.364 6

Activity (Go SEA)

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