UCSF

ZINC05388244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 4.10 7.44 -18.3 1 6 0 80 362.414 3
Ref Reference (pH 7) 3.17 8.71 -23.02 1 6 0 77 362.414 4

Activity (Go SEA)

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