UCSF

ZINC37826020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.53 6.94 -104.93 4 4 2 52 297.487 4
Mid Mid (pH 6-8) 2.53 6.69 -42.65 3 4 1 51 296.479 4

Activity (Go SEA)

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