UCSF

ZINC43975881

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) 3.09 4.95 -36.62 2 4 1 38 289.484 13
Hi High (pH 8-9.5) 3.09 4.61 -1.3 1 4 0 34 288.476 13
Mid Mid (pH 6-8) 3.09 6.75 -27.26 2 4 1 35 289.484 13

Activity (Go SEA)

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