UCSF

ZINC39127702

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 26 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) 3.87 3.82 -16.71 3 6 0 91 391.518 5
Lo Low (pH 4.5-6) 3.87 4.21 -39.05 4 6 1 93 392.526 5

Activity (Go SEA)

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