UCSF

ZINC43897718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 1.31 2.89 -40.21 2 5 1 48 285.408 2
Lo Low (pH 4.5-6) 1.31 4.42 -115.12 3 5 2 49 286.416 2

Activity (Go SEA)

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