UCSF

ZINC34960435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) -0.19 2.63 -92.42 4 3 2 35 187.331 7
Hi High (pH 8-9.5) -0.19 0.38 -41.78 3 3 1 34 186.323 7
Mid Mid (pH 6-8) -0.19 2.44 -100.57 4 3 2 35 187.331 7
Lo Low (pH 4.5-6) -0.19 4.9 -186.95 5 3 3 37 188.339 7

Activity (Go SEA)

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