UCSF

ZINC09097220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 No

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) 2.33 7.08 -28.85 2 10 0 147 445.482 7
Hi High (pH 8-9.5) 2.33 7.19 -51.75 1 10 -1 149 444.474 7
Hi High (pH 8-9.5) 2.39 6.32 -99.7 0 10 -2 155 443.466 7
Mid Mid (pH 6-8) 2.39 5.38 -60.56 1 10 -1 153 444.474 7

Activity (Go SEA)

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