UCSF

ZINC09275689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 4.99 12.86 -51.94 0 8 -1 119 470.486 5
Mid Mid (pH 6-8) 5.44 12.82 -16.99 1 8 0 116 471.494 4

Activity (Go SEA)

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