UCSF

ZINC42458854

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) -0.53 -2.27 -38.3 3 4 1 49 177.268 7
Hi High (pH 8-9.5) -0.53 -1.72 -34.32 2 4 0 52 176.26 7
Mid Mid (pH 6-8) -0.53 0.74 -43.33 3 4 1 53 177.268 7

Activity (Go SEA)

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