UCSF

ZINC55281814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 33 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) 2.95 8.58 -47.58 2 7 1 73 455.575 9
Mid Mid (pH 6-8) 2.95 6.46 -12.56 1 7 0 71 454.567 9
Mid Mid (pH 6-8) 2.95 8.55 -43.36 2 7 1 73 455.575 9

Activity (Go SEA)

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