UCSF

ZINC53296518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 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) 1.10 4.87 -40.14 2 5 -1 81 318.154 1
Mid Mid (pH 6-8) 1.90 5.68 -38.56 2 5 -1 74 318.154 1
Mid Mid (pH 6-8) 1.90 5.68 -15.29 3 5 0 77 319.162 1

Activity (Go SEA)

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