UCSF

ZINC05045133

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 30 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) 1.83 5.71 -64.96 1 8 -1 112 414.434 9
Mid Mid (pH 6-8) 2.27 4.32 -31.19 2 8 0 109 415.442 8

Activity (Go SEA)

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