UCSF

ZINC05588363

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 26 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) 4.85 10.73 -13.62 1 4 0 66 365.502 4
Lo Low (pH 4.5-6) 4.85 10.97 -47.02 2 4 1 67 366.51 4

Activity (Go SEA)

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