UCSF

ZINC37820420

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.16 -0.89 -57.48 6 7 1 120 321.467 9
Hi High (pH 8-9.5) -0.16 -1.24 -79.03 5 7 0 122 320.459 9

Activity (Go SEA)

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