UCSF

ZINC09020048

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 39 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) 4.38 10.43 -48.11 1 8 -1 108 530.597 12
Mid Mid (pH 6-8) 4.82 9.44 -20.63 2 8 0 106 531.605 11

Activity (Go SEA)

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