UCSF

ZINC49455536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 22 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) 2.91 8.65 -41.61 3 5 1 60 304.414 4
Mid Mid (pH 6-8) 2.91 6.5 -4.72 2 5 0 59 303.406 4

Activity (Go SEA)

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