UCSF

ZINC20230985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 Yes

Other Names:

MFCD00174342

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.41 -0.48 -30.18 2 3 1 28 145.226 1
Mid Mid (pH 6-8) -0.41 -0.45 -33.79 2 3 1 28 145.226 1
Mid Mid (pH 6-8) -0.41 -2.91 -4.98 1 3 0 27 144.218 1

Activity (Go SEA)

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