UCSF

ZINC00040385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 16 Yes

Other Names:

MFCD00245926

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) -0.12 3.02 -50.27 1 5 -1 82 219.22 4
Lo Low (pH 4.5-6) -0.12 3.3 -73.06 2 5 0 83 220.228 4

Activity (Go SEA)

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