UCSF

ZINC04492014

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 25 Yes

Other Names:

MFCD00624058

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) 3.47 -0.92 -10.11 2 7 0 85 348.399 8

Activity (Go SEA)

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