UCSF

ZINC28123807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 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) 2.56 9.35 -84.37 3 7 2 57 424.593 6
Hi High (pH 8-9.5) 2.56 4.53 -10.52 1 7 0 55 422.577 6
Mid Mid (pH 6-8) 2.56 6.97 -42.86 2 7 1 56 423.585 6

Activity (Go SEA)

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