UCSF

ZINC01270011

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 24 Yes

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) 3.69 7.37 -19.83 1 6 0 73 347.44 5
Hi High (pH 8-9.5) 3.87 6.3 -46.34 0 6 -1 80 346.432 5

Activity (Go SEA)

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