UCSF

ZINC33965845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 34 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) 3.97 14.26 -50.44 1 6 1 46 474.654 4
Mid Mid (pH 6-8) 3.97 11.85 -14.06 0 6 0 45 473.646 4

Activity (Go SEA)

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