UCSF

ZINC20115293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 No

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) 5.76 12.87 -7.85 0 4 0 39 433.592 7
Lo Low (pH 4.5-6) 5.76 15.21 -38.98 1 4 1 40 434.6 7

Activity (Go SEA)

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