UCSF

ZINC34624226

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 37 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) 4.82 15.47 -43.97 2 10 1 132 508.551 13
Mid Mid (pH 6-8) 4.82 13.09 -13.36 1 10 0 131 507.543 13

Activity (Go SEA)

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