UCSF

ZINC37039480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.28 2.81 -82.35 4 4 2 48 222.336 3
Lo Low (pH 4.5-6) -0.28 4.61 -179.68 5 4 3 49 223.344 3

Activity (Go SEA)

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