UCSF

ZINC36747139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.07 2.23 -68.6 3 6 -1 112 255.294 6
Lo Low (pH 4.5-6) -0.07 0.23 -23.37 4 6 0 109 256.302 6

Activity (Go SEA)

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