UCSF

ZINC34475183

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 0.49 2.17 -15.59 3 9 0 126 433.845 8
Hi High (pH 8-9.5) 0.95 0.35 -63.86 2 9 -1 129 432.837 8
Mid Mid (pH 6-8) 0.49 2.57 -65.61 4 9 1 127 434.853 8

Activity (Go SEA)

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