UCSF

ZINC36999040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.37 6.07 -91.7 4 4 2 50 255.406 4
Hi High (pH 8-9.5) 1.55 3.81 -35.92 3 4 1 56 254.398 4
Hi High (pH 8-9.5) 1.37 4.72 -40.78 3 4 1 46 254.398 4

Activity (Go SEA)

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