UCSF

ZINC37010425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 2.37 7.84 -50.8 2 5 1 66 280.392 9
Hi High (pH 8-9.5) 2.37 6.62 -5.58 1 5 0 61 279.384 9
Mid Mid (pH 6-8) 2.37 9.99 -128.58 3 5 2 67 281.4 9
Mid Mid (pH 6-8) 2.37 8.96 -40.72 2 5 1 62 280.392 9

Activity (Go SEA)

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