UCSF

ZINC36170608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.49 5.05 -84.49 4 3 2 35 249.402 4
Mid Mid (pH 6-8) 1.49 5.08 -90.98 4 3 2 35 249.402 4
Mid Mid (pH 6-8) 1.49 2.83 -44.06 3 3 1 34 248.394 4

Activity (Go SEA)

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