UCSF

ZINC06239711

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 32 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) 4.87 12.2 -52.28 0 5 -1 70 446.91 7
Mid Mid (pH 6-8) 4.87 1.33 -13.52 1 5 0 66 447.918 7
Mid Mid (pH 6-8) 4.29 1.19 -23.78 0 5 0 63 447.918 7

Activity (Go SEA)

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