UCSF

ZINC04964668

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 23 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) 2.84 3.1 -16.06 3 6 0 91 314.341 5
Hi High (pH 8-9.5) 2.84 3.88 -46.92 2 6 -1 94 313.333 5
Hi High (pH 8-9.5) 2.84 4.23 -67.48 2 6 -1 94 313.333 5

Activity (Go SEA)

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