UCSF

ZINC07149387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2006 28 No

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) 2.70 7.45 -19.58 1 7 0 96 420.56 6
Hi High (pH 8-9.5) 2.70 7.25 -56.61 0 7 -1 94 419.552 6

Activity (Go SEA)

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