UCSF

ZINC34383619

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 27 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) -0.31 1.63 -16.61 3 9 0 126 399.4 8
Hi High (pH 8-9.5) 0.15 -0.02 -57.43 2 9 -1 129 398.392 8
Mid Mid (pH 6-8) -0.31 2.03 -59.7 4 9 1 127 400.408 8

Activity (Go SEA)

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