UCSF

ZINC36203952

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) 3.50 9.38 -18.38 1 6 0 75 415.49 6
Mid Mid (pH 6-8) 3.50 11.62 -62.04 2 6 1 76 416.498 6

Activity (Go SEA)

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