UCSF

ZINC23321482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.17 6.71 -17.9 0 8 0 73 490.601 6
Mid Mid (pH 6-8) 2.17 8.92 -54.48 1 8 1 75 491.609 6

Activity (Go SEA)

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