UCSF

ZINC13605735

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 11 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) -1.10 1.23 -181.73 7 3 3 61 162.301 8
Hi High (pH 8-9.5) -1.10 -0.51 -37.4 5 3 1 55 160.285 8
Hi High (pH 8-9.5) -1.10 -0.49 -35.82 5 3 1 55 160.285 8

Activity (Go SEA)

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