UCSF

ZINC28240743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 28 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) 4.06 8.65 -11.91 1 4 0 51 390.87 5
Lo Low (pH 4.5-6) 4.06 9.4 -31.32 2 4 1 52 391.878 5

Activity (Go SEA)

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