UCSF

ZINC22219128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.88 5.35 -46.45 4 5 1 72 279.389 5
Hi High (pH 8-9.5) 1.69 2.03 -50.06 2 5 -1 78 277.373 5
Mid Mid (pH 6-8) 1.69 4.29 -37.44 3 5 0 79 278.381 5

Activity (Go SEA)

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