UCSF

ZINC37044589

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) 3.16 5.29 -60.42 4 4 1 70 284.383 2
Lo Low (pH 4.5-6) 3.16 5.65 -103.64 5 4 2 71 285.391 2

Activity (Go SEA)

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