UCSF

ZINC24903065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 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) 3.23 9.22 -13.62 1 5 0 60 351.168 3
Hi High (pH 8-9.5) 3.30 8.34 -29.88 0 5 -1 66 350.16 3
Mid Mid (pH 6-8) 3.23 9.71 -40.9 2 5 1 61 352.176 3

Activity (Go SEA)

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