UCSF

ZINC36238022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 2.99 8.18 -48.22 2 5 1 46 351.474 4
Mid Mid (pH 6-8) 2.99 8.76 -76.08 3 5 2 48 352.482 4

Activity (Go SEA)

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