UCSF

ZINC44647287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -0.36 4.12 -41.38 2 4 1 50 208.285 5
Hi High (pH 8-9.5) -0.36 2.75 -8.73 1 4 0 45 207.277 5

Activity (Go SEA)

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