UCSF

ZINC15773577

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 No

Other Names:

MFCD00691598

MFCD00767658

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) 2.84 7.03 -16.81 2 10 0 149 327.256 4
Ref Reference (pH 7) 2.84 6.85 -17.89 2 10 0 149 327.256 4
Ref Reference (pH 7) 3.30 4.03 -15.81 2 10 0 149 327.256 4
Hi High (pH 8-9.5) 3.30 5.14 -48.48 1 10 -1 152 326.248 4
Hi High (pH 8-9.5) 3.30 4.81 -45.9 1 10 -1 152 326.248 4

Activity (Go SEA)

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