UCSF

ZINC37835951

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) -0.42 9.06 -62.07 0 6 -1 108 276.316 7
Lo Low (pH 4.5-6) -0.42 6.5 -24.14 1 6 0 105 277.324 7

Activity (Go SEA)

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