UCSF

ZINC04168318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 Yes

Other Names:

MFCD03081345

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) 4.67 -1.39 -15.46 1 4 0 58 410.876 3
Mid Mid (pH 6-8) 4.67 -2 -11.91 1 4 0 58 410.876 3
Mid Mid (pH 6-8) 4.83 -2.96 -11.85 1 4 0 58 410.876 3

Activity (Go SEA)

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