UCSF

ZINC06753010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 25 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) 2.11 3.54 -15.68 3 6 0 89 335.363 4
Hi High (pH 8-9.5) 2.09 3.76 -48.29 1 6 -1 88 334.355 4
Hi High (pH 8-9.5) 2.09 3.54 -59.77 1 6 -1 88 334.355 4
Hi High (pH 8-9.5) 2.11 4.32 -41.57 2 6 -1 92 334.355 4
Mid Mid (pH 6-8) 2.11 3.94 -56.43 2 6 -1 92 334.355 4

Activity (Go SEA)

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