UCSF

ZINC21641394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 4.90 9.84 -11.35 1 4 0 47 307.397 5
Mid Mid (pH 6-8) 4.90 10.16 -26.57 2 4 1 48 308.405 5

Activity (Go SEA)

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