UCSF

ZINC58379370

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 2.52 8.95 -7.78 0 3 0 33 272.392 6
Lo Low (pH 4.5-6) 2.52 9.41 -35.48 1 3 1 34 273.4 6

Activity (Go SEA)

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