UCSF

ZINC19871957

Substance Information

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

Other Names:

MFCD07409164

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) 1.72 4.35 -37.8 2 4 1 38 253.366 8
Mid Mid (pH 6-8) 1.72 5.5 -37.41 2 4 1 35 253.366 8

Activity (Go SEA)

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