UCSF

ZINC09934828

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2007 25 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) 4.07 7.64 -11.38 1 6 0 92 423.288 6
Hi High (pH 8-9.5) 4.07 7.29 -36.54 0 6 -1 95 422.28 6
Hi High (pH 8-9.5) 4.07 8.57 -44.22 0 6 -1 95 422.28 6

Activity (Go SEA)

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