UCSF

ZINC42777171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.35 6.24 -40.02 2 4 1 38 253.414 5
Hi High (pH 8-9.5) 2.35 5.1 -24.05 2 4 1 34 253.414 5
Hi High (pH 8-9.5) 2.35 4.96 -4.49 1 4 0 33 252.406 5
Mid Mid (pH 6-8) 2.35 6.38 -92.69 3 4 2 39 254.422 5

Activity (Go SEA)

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