UCSF

ZINC14969641

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.04 7.77 -40.05 2 6 1 69 315.397 8
Mid Mid (pH 6-8) 2.04 7.45 -7.99 1 6 0 67 314.389 8

Activity (Go SEA)

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