UCSF

ZINC13549269

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 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) 3.12 7.9 -7.3 0 3 0 37 243.306 1
Ref Reference (pH 7) 3.12 7.97 -8.77 0 3 0 37 243.306 1
Ref Reference (pH 7) 3.12 7.9 -7.33 0 3 0 37 243.306 1

Activity (Go SEA)

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