UCSF

ZINC37793869

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 2.30 5.6 -42.81 1 5 -1 78 335.561 5
Lo Low (pH 4.5-6) 2.30 3.62 -7.95 2 5 0 76 336.569 5

Activity (Go SEA)

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