UCSF

ZINC26546474

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 4.40 4.88 -38.44 0 4 -1 57 438.092 4
Mid Mid (pH 6-8) 4.40 4.85 -9.01 1 4 0 55 439.1 4

Activity (Go SEA)

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