UCSF

ZINC27518731

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 24 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) -0.68 5.77 -116.72 3 6 0 93 333.363 4
Mid Mid (pH 6-8) -3.42 4.68 -101.75 4 6 1 96 334.371 3

Activity (Go SEA)

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