UCSF

ZINC05864810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 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) 3.69 9.94 -61.77 0 6 -1 79 420.485 8
Mid Mid (pH 6-8) 4.13 -1.41 -29.89 1 6 0 76 421.493 7
Mid Mid (pH 6-8) 3.10 -1.15 -25.27 0 6 0 72 421.493 8

Activity (Go SEA)

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