UCSF

ZINC36998109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.82 7.56 -4.87 2 2 0 32 303.833 5
Mid Mid (pH 6-8) 4.82 8.76 -41.67 3 2 1 37 304.841 5

Activity (Go SEA)

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