UCSF

ZINC20065944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 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) 1.82 4.97 -60.81 0 9 -1 105 455.487 9
Mid Mid (pH 6-8) 1.82 7.3 -79.42 1 9 0 106 456.495 9

Activity (Go SEA)

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