UCSF

ZINC37085183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.60 6.35 -85.92 3 5 2 60 279.384 5
Mid Mid (pH 6-8) 1.60 5.38 -33.79 2 5 1 56 278.376 5

Activity (Go SEA)

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