UCSF

ZINC19809389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.33 9.71 -40.85 1 2 1 8 287.402 7
Hi High (pH 8-9.5) 3.33 7.39 -3.68 0 2 0 6 286.394 7
Mid Mid (pH 6-8) 3.33 11.99 -122.63 2 2 2 9 288.41 7
Mid Mid (pH 6-8) 3.33 10.04 -40.93 1 2 1 8 287.402 7

Activity (Go SEA)

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