UCSF

ZINC39917788

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.72 15.83 -45.88 1 4 1 31 406.594 10
Mid Mid (pH 6-8) 5.72 16.13 -99.31 2 4 2 33 407.602 10

Activity (Go SEA)

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