UCSF

ZINC59710170

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.45 0.98 -2.79 0 4 0 25 254.374 2
Mid Mid (pH 6-8) 1.45 3.57 -33.74 1 4 1 26 255.382 2
Lo Low (pH 4.5-6) 1.45 5.48 -110.97 2 4 2 27 256.39 2

Activity (Go SEA)

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