UCSF

ZINC39869933

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 3.38 9.28 -205.22 0 8 -3 137 369.334 5
Mid Mid (pH 6-8) 3.38 9.83 -131.45 1 8 -2 135 370.342 5

Activity (Go SEA)

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