UCSF

ZINC61721769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 1.74 7.28 -48.89 1 5 -1 93 257.269 3
Lo Low (pH 4.5-6) 1.74 5.29 -9.07 2 5 0 90 258.277 3

Activity (Go SEA)

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