UCSF

ZINC08442272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 Yes

Other Names:

MFCD05882849

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) 4.24 -3.77 -15.93 2 7 0 93 446.912 7
Hi High (pH 8-9.5) 4.24 -3.19 -50.68 1 7 -1 95 445.904 7

Activity (Go SEA)

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