UCSF

ZINC27988375

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 20 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 10.56 -34.33 1 2 1 22 276.444 3
Hi High (pH 8-9.5) 3.69 8.41 -5.15 0 2 0 20 275.436 3

Activity (Go SEA)

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