UCSF

ZINC43983299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.84 5.98 -38.22 2 2 1 20 289.365 8
Hi High (pH 8-9.5) 3.84 7.09 -2.52 1 2 0 15 288.357 8
Mid Mid (pH 6-8) 3.84 7.82 -104.59 3 2 2 21 290.373 8
Mid Mid (pH 6-8) 3.84 9.1 -33.23 2 2 1 16 289.365 8

Activity (Go SEA)

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