UCSF

ZINC37144380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.26 5.12 -41.65 4 4 1 60 309.455 7
Hi High (pH 8-9.5) 1.26 2.83 -13.27 3 4 0 59 308.447 7

Activity (Go SEA)

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