UCSF

ZINC34560364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 0.90 0.52 -11.22 1 3 0 54 218.249 3
Mid Mid (pH 6-8) 0.90 1.03 -46.86 0 3 -1 57 217.241 3

Activity (Go SEA)

Rings

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