UCSF

ZINC37806338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.41 3.28 -50.2 4 5 1 77 266.365 3
Mid Mid (pH 6-8) 0.41 2.98 -14.64 3 5 0 75 265.357 3

Activity (Go SEA)

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