UCSF

ZINC62983774

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 0.52 6.23 -46.32 2 5 1 53 259.333 2
Hi High (pH 8-9.5) 0.52 3.79 -12.25 1 5 0 52 258.325 2
Lo Low (pH 4.5-6) 0.52 6.72 -94.97 3 5 2 55 260.341 2

Activity (Go SEA)

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