UCSF

ZINC21819293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.06 5.87 -124.26 4 4 2 51 304.381 9
Mid Mid (pH 6-8) 2.06 3.99 -51.72 3 4 1 49 303.373 9

Activity (Go SEA)

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