UCSF

ZINC09421816

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 5.46 -5.6 -13.64 2 6 0 92 408.479 5
Hi High (pH 8-9.5) 5.46 -5.02 -46.4 1 6 -1 94 407.471 5

Activity (Go SEA)

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