UCSF

ZINC13729306

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.48 5.9 -110.6 4 3 2 41 262.397 2
Hi High (pH 8-9.5) 1.48 5.96 -37.58 2 3 0 40 260.381 2
Mid Mid (pH 6-8) 1.48 5.59 -33.36 3 3 1 40 261.389 2
Mid Mid (pH 6-8) 1.48 6.38 -89.84 3 3 1 44 261.389 2
Mid Mid (pH 6-8) 1.48 5.48 -27.93 3 3 1 37 261.389 2

Activity (Go SEA)

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