UCSF

ZINC53133192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 24 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) 3.06 7.92 -83.69 1 6 -1 93 365.456 5
Mid Mid (pH 6-8) 3.06 7.61 -129.75 0 6 -2 92 364.448 5

Activity (Go SEA)

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