UCSF

ZINC19871948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 Yes

Other Names:

MFCD07364977

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) 1.41 1.65 -5.69 1 4 0 34 250.342 6
Mid Mid (pH 6-8) 1.41 3.06 -45.44 2 4 1 38 251.35 6
Lo Low (pH 4.5-6) 1.41 3.98 -39.35 2 4 1 35 251.35 6

Activity (Go SEA)

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