UCSF

ZINC28831337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 19 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) 3.33 7.72 -11.81 1 5 0 68 297.767 5
Hi High (pH 8-9.5) 3.33 7.62 -37.97 0 5 -1 66 296.759 5

Activity (Go SEA)

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