UCSF

ZINC17180901

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 25 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) 5.32 9.26 -89.28 0 5 -2 84 391.235 4
Hi High (pH 8-9.5) 6.27 7.3 -92.74 0 5 -2 88 391.235 3
Hi High (pH 8-9.5) 6.27 8.12 -91.95 0 5 -2 88 391.235 3

Activity (Go SEA)

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