UCSF

ZINC34938071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.31 7.82 -123.79 4 2 2 32 266.454 4
Hi High (pH 8-9.5) 2.31 7.48 -35.1 3 2 1 30 265.446 4
Hi High (pH 8-9.5) 2.31 5.68 -47.09 3 2 1 31 265.446 4

Activity (Go SEA)

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