UCSF

ZINC13990854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 33 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) 5.26 13.86 -13.38 2 4 0 58 434.539 8

Activity (Go SEA)

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