UCSF

ZINC37339679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.69 6.91 -35.47 1 3 1 25 332.287 4
Mid Mid (pH 6-8) 2.69 4.66 -8.07 0 3 0 24 331.279 4

Activity (Go SEA)

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