UCSF

ZINC51783265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 14 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) 0.73 2.86 -108.87 4 4 2 50 201.314 5
Hi High (pH 8-9.5) 0.73 1.43 -36.39 3 4 1 46 200.306 5
Hi High (pH 8-9.5) 0.73 -0.76 -8.11 2 4 0 44 199.298 5
Mid Mid (pH 6-8) 0.73 0.66 -43.02 3 4 1 49 200.306 5

Activity (Go SEA)

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