UCSF

ZINC22922806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 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) 1.93 7.55 -36.2 1 3 1 21 272.416 3
Hi High (pH 8-9.5) 1.93 5.34 -3.84 0 3 0 19 271.408 3
Lo Low (pH 4.5-6) 1.93 8.01 -82.88 2 3 2 22 273.424 3

Activity (Go SEA)

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