UCSF

ZINC34958034

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) 2.79 8.78 -95.33 4 2 2 32 274.383 6
Hi High (pH 8-9.5) 2.79 6.3 -47.93 3 2 1 31 273.375 6
Hi High (pH 8-9.5) 2.79 8.38 -35.97 3 2 1 30 273.375 6

Activity (Go SEA)

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