UCSF

ZINC45168442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 34 Yes

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) 3.02 8.8 -52.92 3 7 1 81 478.642 7
Mid Mid (pH 6-8) 3.02 7.77 -54.6 3 7 1 84 478.642 7
Mid Mid (pH 6-8) 3.02 8.21 -90.11 4 7 2 85 479.65 7

Activity (Go SEA)

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