UCSF

ZINC34940055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.24 8.12 -120.2 4 3 2 35 297.874 5
Hi High (pH 8-9.5) 3.24 5.93 -1.84 2 3 0 32 295.858 5
Mid Mid (pH 6-8) 3.24 6.3 -42.83 3 3 1 34 296.866 5
Mid Mid (pH 6-8) 3.24 7.76 -28.58 3 3 1 34 296.866 5

Activity (Go SEA)

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