UCSF

ZINC37168156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 2.44 5.32 -39.82 2 2 1 20 221.368 3
Lo Low (pH 4.5-6) 2.44 7.9 -110.95 3 2 2 21 222.376 3

Activity (Go SEA)

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