UCSF

ZINC39908298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 8.26 18.24 -11.09 0 3 0 27 459.033 9
Mid Mid (pH 6-8) 8.26 18.65 -34.1 1 3 1 28 460.041 9

Activity (Go SEA)

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