UCSF

ZINC43454223

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 0.00 3.76 -12.52 2 6 0 86 265.313 6
Lo Low (pH 4.5-6) 0.00 4.17 -37.86 3 6 1 87 266.321 6

Activity (Go SEA)

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