UCSF

ZINC62953187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.09 8.7 -33.95 3 2 1 30 275.46 5
Hi High (pH 8-9.5) 2.09 6.77 -1.38 2 2 0 29 274.452 5
Mid Mid (pH 6-8) 2.09 9.1 -133.35 4 2 2 32 276.468 5

Activity (Go SEA)

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