UCSF

ZINC20737887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 0.36 4.24 -25.35 3 9 0 129 378.392 5
Ref Reference (pH 7) 0.17 7.02 -23.14 3 9 0 125 378.392 5

Activity (Go SEA)

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