UCSF

ZINC13885768

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 8 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) -0.93 -0.42 -101.49 6 2 2 55 116.208 2

Activity (Go SEA)

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