UCSF

ZINC37824991

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) -0.88 2.84 -114.17 4 6 2 74 294.399 6
Hi High (pH 8-9.5) -0.88 1.48 -58.82 3 6 1 70 293.391 6
Lo Low (pH 4.5-6) -0.88 3.3 -176.41 5 6 3 76 295.407 6

Activity (Go SEA)

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