UCSF

ZINC37484103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) -0.65 2.16 -55.37 3 4 1 61 206.269 2
Lo Low (pH 4.5-6) -0.65 2.56 -95.88 4 4 2 62 207.277 2

Activity (Go SEA)

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