UCSF

ZINC19489152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.12 2.36 -13.25 1 6 0 62 275.308 2
Mid Mid (pH 6-8) -0.12 3.74 -56.03 2 6 1 66 276.316 2

Activity (Go SEA)

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