UCSF

ZINC36884179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.63 4.99 -49.17 1 6 -1 90 278.284 6
Hi High (pH 8-9.5) 0.63 5.79 -129.22 0 6 -2 93 277.276 6

Activity (Go SEA)

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