UCSF

ZINC43703384

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 0.33 2.8 -49.11 1 6 -1 82 283.329 5
Lo Low (pH 4.5-6) 0.33 5 -50.12 2 6 0 83 284.337 5

Activity (Go SEA)

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