UCSF

ZINC22862946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 14 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) 0.97 3.95 -36.24 2 3 1 29 214.358 5
Hi High (pH 8-9.5) 0.97 1.43 -4.38 1 3 0 28 213.35 5
Mid Mid (pH 6-8) 0.97 2.75 -33.17 2 3 1 33 214.358 5
Lo Low (pH 4.5-6) 0.97 5.29 -105.65 3 3 2 34 215.366 5

Activity (Go SEA)

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