UCSF

ZINC34681987

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.77 12.12 -45.29 2 8 1 77 477.585 9
Lo Low (pH 4.5-6) 3.77 12.47 -101.74 3 8 2 79 478.593 9

Activity (Go SEA)

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