UCSF

ZINC19792790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 Yes

Other Names:

MFCD02969387

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) 4.64 11.14 -52.03 2 4 1 55 372.444 5
Mid Mid (pH 6-8) 4.64 11.94 -37.33 1 4 0 58 371.436 5

Activity (Go SEA)

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