UCSF

ZINC37835921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.35 1.17 -60.44 2 6 -1 101 260.31 8
Lo Low (pH 4.5-6) -0.35 -0.65 -13.54 3 6 0 98 261.318 8

Activity (Go SEA)

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