UCSF

ZINC34682270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 2.99 9.59 -45.37 3 7 1 79 437.564 10
Lo Low (pH 4.5-6) 2.99 9.94 -99.54 4 7 2 80 438.572 10

Activity (Go SEA)

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