UCSF

ZINC13467941

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 37 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) 5.78 14.95 -3.89 2 4 0 59 494.631 7

Activity (Go SEA)

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