UCSF

ZINC23326615

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 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) 5.11 11.82 -9.88 1 4 0 36 425.454 4
Mid Mid (pH 6-8) 5.11 13.5 -46.22 2 4 1 37 426.462 4

Activity (Go SEA)

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