UCSF

ZINC36708977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 29 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) 4.43 13.97 -48.78 1 5 1 43 387.507 6
Mid Mid (pH 6-8) 4.43 14.32 -97.91 2 5 2 44 388.515 6
Mid Mid (pH 6-8) 4.43 11.71 -8.72 0 5 0 41 386.499 6
Mid Mid (pH 6-8) 4.43 12.07 -33.96 1 5 1 43 387.507 6

Activity (Go SEA)

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