UCSF

ZINC43909042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.47 5.54 -108.56 3 3 2 30 214.353 3
Hi High (pH 8-9.5) 1.47 2.65 -1.09 1 3 0 24 212.337 3
Mid Mid (pH 6-8) 1.47 4.61 -31.89 2 3 1 26 213.345 3

Activity (Go SEA)

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