UCSF

ZINC36358390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 Yes

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) 2.77 8.27 -14.43 1 5 0 74 332.338 2
Ref Reference (pH 7) 2.59 10.94 -14.22 1 5 0 71 332.338 2
Mid Mid (pH 6-8) 2.59 11.39 -50.62 2 5 1 72 333.346 2

Activity (Go SEA)

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