UCSF

ZINC35101303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) 0.33 1.67 -40.79 3 4 1 57 215.317 5
Hi High (pH 8-9.5) 0.33 0.51 -10.62 2 4 0 53 214.309 5

Activity (Go SEA)

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