UCSF

ZINC04062775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 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) 4.13 0.53 -12.32 0 5 0 55 353.838 4
Lo Low (pH 4.5-6) 4.13 0.64 -48.02 1 5 1 57 354.846 4

Activity (Go SEA)

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