UCSF

ZINC53127225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) -0.32 -3.07 -45.95 6 6 1 106 244.315 5
Mid Mid (pH 6-8) -0.32 -3.48 -8.97 5 6 0 104 243.307 5

Activity (Go SEA)

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