UCSF

ZINC33854762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 22 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) 1.05 0.63 -35.68 3 6 0 98 301.346 3
Mid Mid (pH 6-8) 0.50 0.68 -29.41 3 6 0 98 301.346 3
Mid Mid (pH 6-8) 0.87 3.22 -37.13 4 6 1 92 302.354 3

Activity (Go SEA)

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