UCSF

ZINC45663233

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 No

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) -1.52 1.47 -96.09 5 6 2 81 246.355 8
Hi High (pH 8-9.5) -1.52 1.08 -36.37 4 6 1 80 245.347 8
Hi High (pH 8-9.5) -1.33 2.24 -91.09 4 6 1 88 245.347 8

Activity (Go SEA)

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