UCSF

ZINC33087116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 22 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) 5.45 9.95 -30.99 2 2 1 25 336.908 3
Hi High (pH 8-9.5) 5.45 10.74 -21.51 1 2 0 27 335.9 3

Activity (Go SEA)

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