UCSF

ZINC53156588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.73 3.09 -10.52 2 3 0 41 274.748 3
Mid Mid (pH 6-8) 1.73 4.29 -44.42 3 3 1 46 275.756 3

Activity (Go SEA)

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