UCSF

ZINC05287209

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 4.38 4.74 -11.49 1 5 0 70 407.706 4
Mid Mid (pH 6-8) 4.38 4.24 -33.86 0 5 -1 73 406.698 4
Mid Mid (pH 6-8) 4.38 5.47 -43.72 0 5 -1 73 406.698 4

Activity (Go SEA)

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