UCSF

ZINC19834766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.60 0.85 -50.04 4 5 1 69 252.338 7
Hi High (pH 8-9.5) 0.60 2.83 -40.29 4 5 1 69 252.338 7
Hi High (pH 8-9.5) 0.60 0.48 -10.38 3 5 0 68 251.33 7
Mid Mid (pH 6-8) 0.60 3.21 -110.57 5 5 2 70 253.346 7

Activity (Go SEA)

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