UCSF

ZINC12112240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 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) 1.82 -0.29 -54.54 2 5 1 54 392.47 4

Activity (Go SEA)

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