UCSF

ZINC33761925

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 29 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) 0.68 4.23 -54.55 1 8 -1 112 397.407 8
Lo Low (pH 4.5-6) 0.68 2.94 -21.84 2 8 0 109 398.415 8

Activity (Go SEA)

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