UCSF

ZINC39913987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.43 5.09 -13.36 3 8 0 108 469.925 8
Mid Mid (pH 6-8) 3.43 5.85 -50.95 2 8 -1 111 468.917 8

Activity (Go SEA)

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