UCSF

ZINC21664300

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 1.45 4.11 -53.98 3 7 1 86 403.528 5
Hi High (pH 8-9.5) 1.45 2.7 -15.83 2 7 0 82 402.52 5
Hi High (pH 8-9.5) 1.45 4.18 -72.86 2 7 0 88 402.52 5

Activity (Go SEA)

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