UCSF

ZINC08441408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 Yes

Other Names:

MFCD02046384

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) 6.52 0 -8.4 2 4 0 65 422.937 5
Lo Low (pH 4.5-6) 6.52 0.11 -31.44 3 4 1 66 423.945 5

Activity (Go SEA)

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