UCSF

ZINC15919721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 19 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) 2.23 4.1 -6.49 2 4 0 62 290.266 4
Hi High (pH 8-9.5) 2.10 2.84 -33.52 1 4 -1 62 289.258 4
Lo Low (pH 4.5-6) 2.10 3.91 -37.82 3 4 1 66 291.274 4

Activity (Go SEA)

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