UCSF

ZINC37786614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 3.07 7.36 -34.92 2 4 1 34 253.414 8
Hi High (pH 8-9.5) 3.07 5.42 -3.77 1 4 0 33 252.406 8

Activity (Go SEA)

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