UCSF

ZINC20766901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 37 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) 4.66 10.06 -51.56 3 8 1 84 503.623 11
Hi High (pH 8-9.5) 4.66 10.08 -51.39 3 8 1 84 503.623 11
Hi High (pH 8-9.5) 4.66 7.83 -19.48 2 8 0 83 502.615 11

Activity (Go SEA)

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