UCSF

ZINC13714704

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 4.93 7.48 -10.87 1 6 0 73 404.875 5
Ref Reference (pH 7) 4.93 7.91 -11.12 1 6 0 73 404.875 5
Ref Reference (pH 7) 4.44 7.35 -38.91 0 6 -1 72 403.867 6

Activity (Go SEA)

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