UCSF

ZINC33533527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 33 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) 3.30 9.43 -68.21 0 8 -1 101 456.515 12
Lo Low (pH 4.5-6) 3.30 8.47 -20.66 1 8 0 98 457.523 12

Activity (Go SEA)

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