UCSF

ZINC06238879

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 2.56 6.41 -61.07 0 6 -1 79 386.449 8
Mid Mid (pH 6-8) 3.01 -0.94 -19.41 1 6 0 76 387.457 7
Mid Mid (pH 6-8) 1.98 -1.67 -13.32 0 6 0 72 387.457 8

Activity (Go SEA)

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