UCSF

ZINC38001619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 2.41 2.44 -11.98 1 3 0 46 324.265 3
Mid Mid (pH 6-8) 2.41 3.43 -59.88 2 3 1 51 325.273 3

Activity (Go SEA)

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