UCSF

ZINC00944091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 Yes

Other Names:

MFCD02051970

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) 6.17 -1.54 -9.96 1 5 0 68 427.566 6
Hi High (pH 8-9.5) 6.17 -0.96 -44.01 0 5 -1 70 426.558 6

Activity (Go SEA)

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