UCSF

ZINC45663611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.34 5.45 -111.76 4 3 2 35 291.892 8
Hi High (pH 8-9.5) 2.34 4.75 -33.39 3 3 1 34 290.884 8
Hi High (pH 8-9.5) 2.34 2.99 -46.83 3 3 1 34 290.884 8

Activity (Go SEA)

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