UCSF

ZINC20048033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 20 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) 2.29 5.94 -37.55 3 4 1 46 282.452 7
Hi High (pH 8-9.5) 2.29 3.94 -7.41 2 4 0 44 281.444 7
Mid Mid (pH 6-8) 2.29 7.33 -107.1 4 4 2 50 283.46 7
Mid Mid (pH 6-8) 2.29 5.08 -44.49 3 4 1 49 282.452 7

Activity (Go SEA)

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