UCSF

ZINC06313709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.28 8.31 -51.98 0 7 -1 92 409.462 10
Mid Mid (pH 6-8) 2.73 -1.46 -29.3 1 7 0 88 410.47 9
Mid Mid (pH 6-8) 1.70 -1.17 -23.75 0 7 0 85 410.47 10

Activity (Go SEA)

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