UCSF

ZINC37812267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.28 7.83 -95.62 4 4 2 52 285.476 9
Hi High (pH 8-9.5) 2.28 7.6 -33.12 3 4 1 51 284.468 9

Activity (Go SEA)

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