UCSF

ZINC05045117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 31 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) 3.78 10.23 -42.57 0 6 -1 79 420.485 10
Mid Mid (pH 6-8) 4.23 8.33 -28.7 1 6 0 76 421.493 9
Mid Mid (pH 6-8) 3.20 9.31 -23.73 0 6 0 73 421.493 10

Activity (Go SEA)

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