UCSF

ZINC55072628

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 31 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) 3.83 11.1 -46.82 1 5 1 35 425.593 7
Hi High (pH 8-9.5) 3.83 9.03 -8.4 0 5 0 34 424.585 7
Mid Mid (pH 6-8) 3.83 11.56 -50.27 1 5 1 35 425.593 7

Activity (Go SEA)

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