UCSF

ZINC37039483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.54 4.68 -43.91 3 3 1 34 310.29 3
Lo Low (pH 4.5-6) 1.54 6.45 -122.36 4 3 2 35 311.298 3

Activity (Go SEA)

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