UCSF

ZINC37792537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) -0.77 3.2 -53.08 1 5 -1 93 181.171 4
Lo Low (pH 4.5-6) -0.77 1.21 -16.09 2 5 0 90 182.179 4

Activity (Go SEA)

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