UCSF

ZINC37822777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -1.21 0.6 -52.07 3 4 1 51 196.274 3
Lo Low (pH 4.5-6) -1.21 2.85 -103.22 4 4 2 52 197.282 3

Activity (Go SEA)

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