UCSF

ZINC37236789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 0.89 3.3 -40.57 4 5 1 63 269.413 3
Lo Low (pH 4.5-6) 0.89 4.31 -115.08 5 5 2 67 270.421 3

Activity (Go SEA)

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