UCSF

ZINC03085110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 No

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) 5.99 7.75 -7.67 1 2 0 33 423.919 2
Mid Mid (pH 6-8) 5.99 8.52 -38.92 0 2 -1 35 422.911 2
Mid Mid (pH 6-8) 5.99 7.32 -29.43 0 2 -1 35 422.911 2

Activity (Go SEA)

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