UCSF

ZINC45684771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.06 5.13 -190.93 5 4 3 46 248.435 10
Hi High (pH 8-9.5) 1.06 5.67 -103.27 4 4 2 49 247.427 10
Hi High (pH 8-9.5) 1.06 3.19 -37.88 3 4 1 47 246.419 10
Hi High (pH 8-9.5) 1.06 1.02 -26.95 2 4 0 46 245.411 10
Mid Mid (pH 6-8) 1.06 2.96 -86.4 4 4 2 45 247.427 10

Activity (Go SEA)

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