UCSF

ZINC37828292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.82 7.64 -60.65 0 6 -1 87 280.3 4
Lo Low (pH 4.5-6) 0.82 5.73 -14.59 1 6 0 84 281.308 4

Activity (Go SEA)

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