UCSF

ZINC43993095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.52 9.94 -114.05 3 3 2 36 253.349 4
Hi High (pH 8-9.5) 2.52 8.54 -6.7 1 3 0 30 251.333 4
Mid Mid (pH 6-8) 2.52 9.42 -47.02 2 3 1 34 252.341 4

Activity (Go SEA)

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