UCSF

ZINC21639879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.80 9.99 -8.95 1 5 0 50 346.434 5
Mid Mid (pH 6-8) 3.80 12.42 -42.25 2 5 1 51 347.442 5

Activity (Go SEA)

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