UCSF

ZINC05408133

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 3.68 7.51 -58.2 1 5 -1 81 384.839 5
Mid Mid (pH 6-8) 4.12 -0.71 -17.76 2 5 0 77 385.847 4
Mid Mid (pH 6-8) 3.09 -1.39 -10.92 1 5 0 74 385.847 5

Activity (Go SEA)

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