UCSF

ZINC20358314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 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) 2.22 11.25 -15.59 2 9 0 108 518.643 4
Mid Mid (pH 6-8) 2.22 11.24 -18.88 2 9 0 108 518.643 4

Activity (Go SEA)

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