UCSF

ZINC00383286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 No

Other Names:

MFCD03866024

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) -1.84 -1.03 -30.52 0 2 1 3 217.336 2
Mid Mid (pH 6-8) -1.84 2.31 -105.39 1 2 2 4 218.344 2

Activity (Go SEA)

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