UCSF

ZINC19802488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 Yes

Other Names:

MFCD02942577

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) 5.01 11.66 -42.04 1 2 1 8 380.364 1
Mid Mid (pH 6-8) 5.01 9.2 -3.37 0 2 0 6 379.356 1
Mid Mid (pH 6-8) 5.01 10.74 -40.68 1 2 1 8 380.364 1

Activity (Go SEA)

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