UCSF

ZINC00596731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 29 Yes

CAS Number: 115256-11-6

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) 2.29 3.84 -62.44 3 8 1 106 442.583 11
Hi High (pH 8-9.5) 2.29 1.49 -20.82 2 8 0 105 441.575 11
Mid Mid (pH 6-8) 2.29 3.99 -72.03 2 8 0 108 441.575 11

Activity (Go SEA)

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