UCSF

ZINC37372163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

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) 1.33 2.83 -39.57 4 6 1 86 298.407 5
Hi High (pH 8-9.5) 1.33 1.4 -7.06 3 6 0 82 297.399 5

Activity (Go SEA)

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