UCSF

ZINC13960780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 28 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) 7.55 15.14 -7.91 0 2 0 18 386.926 3

Activity (Go SEA)

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