UCSF

ZINC39869926

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 No

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) 6.36 13.14 -206.8 0 8 -3 137 500.295 6
Mid Mid (pH 6-8) 6.36 13.67 -132.19 1 8 -2 135 501.303 6

Activity (Go SEA)

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