UCSF

ZINC36214328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.91 8.42 -10.29 1 5 0 53 397.494 6
Mid Mid (pH 6-8) 2.91 10.73 -47.97 2 5 1 54 398.502 6

Activity (Go SEA)

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