UCSF

ZINC37051459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.79 5.13 -14.66 2 5 0 59 284.363 3
Lo Low (pH 4.5-6) 1.79 5.52 -38.05 3 5 1 60 285.371 3

Activity (Go SEA)

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