UCSF

ZINC43428166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.57 4.48 -37.82 2 3 1 29 241.399 5
Lo Low (pH 4.5-6) 2.57 6.69 -113.94 3 3 2 30 242.407 5

Activity (Go SEA)

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