UCSF

ZINC02055699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 27 Yes

Other Names:

MFCD00496173

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) 6.72 0.75 -8.54 1 2 0 28 370.521 4
Mid Mid (pH 6-8) 6.72 0.95 -28.78 2 2 1 29 371.529 4

Activity (Go SEA)

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