UCSF

ZINC09177553

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 4.42 9.91 -57.39 0 8 -1 91 527.597 9
Mid Mid (pH 6-8) 4.42 12.31 -68.06 1 8 0 93 528.605 9

Activity (Go SEA)

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