UCSF

ZINC02025257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 25 No

Other Names:

MFCD00843167

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) 2.56 3.88 -14.16 3 7 0 100 341.367 5
Hi High (pH 8-9.5) 2.56 4.8 -56.92 2 7 -1 103 340.359 5

Activity (Go SEA)

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