UCSF

ZINC43992796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.94 11.35 -99.92 3 3 2 36 279.387 5
Hi High (pH 8-9.5) 2.94 9.39 -6.04 1 3 0 30 277.371 5
Mid Mid (pH 6-8) 2.94 10.53 -46.52 2 3 1 34 278.379 5

Activity (Go SEA)

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