UCSF

ZINC37855919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.67 5.77 -103.16 4 4 2 49 247.427 11
Hi High (pH 8-9.5) 0.67 3.34 -100.89 4 4 2 45 247.427 11
Mid Mid (pH 6-8) 0.67 3.88 -77.89 4 4 2 41 247.427 11
Mid Mid (pH 6-8) 0.67 5.28 -189.47 5 4 3 46 248.435 11

Activity (Go SEA)

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