UCSF

ZINC15229256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 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) 5.63 11.35 -52.98 1 7 -1 104 459.931 8
Mid Mid (pH 6-8) 5.14 10.38 -98.18 0 7 -2 103 458.923 9

Activity (Go SEA)

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