UCSF

ZINC06728432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 2.64 -5.5 -18.74 2 8 0 110 398.444 6
Hi High (pH 8-9.5) 2.64 -5 -52.48 1 8 -1 112 397.436 6

Activity (Go SEA)

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