UCSF

ZINC37822113

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) 0.51 1 -51.39 4 6 1 94 320.479 7
Hi High (pH 8-9.5) 0.51 0.7 -13.78 3 6 0 93 319.471 7

Activity (Go SEA)

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