UCSF

ZINC37840942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.45 2.48 -13.96 1 7 0 97 300.336 7
Hi High (pH 8-9.5) 0.91 0.61 -51.95 0 7 -1 100 299.328 7

Activity (Go SEA)

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