UCSF

ZINC21708353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 3.36 8.79 -21.81 1 5 0 53 433.474 7
Mid Mid (pH 6-8) 3.36 11.07 -69.16 2 5 1 54 434.482 7

Activity (Go SEA)

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