UCSF

ZINC27587762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 3.59 8.82 -11.49 1 5 0 56 337.423 6
Mid Mid (pH 6-8) 3.59 9.24 -38.26 2 5 1 57 338.431 6

Activity (Go SEA)

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