UCSF

ZINC09847819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 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) 3.24 12.1 -55.44 2 6 1 59 465.643 6
Mid Mid (pH 6-8) 3.24 9.82 -16.57 1 6 0 58 464.635 6

Activity (Go SEA)

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