UCSF

ZINC44723103

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.49 2.58 -32.08 2 4 1 29 240.371 5
Hi High (pH 8-9.5) 0.49 0.1 -2.6 1 4 0 28 239.363 5
Mid Mid (pH 6-8) 0.49 4.86 -84.37 3 4 2 30 241.379 5

Activity (Go SEA)

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