UCSF

ZINC17877551

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 24 No

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) 3.38 7.98 -12.96 1 5 0 53 388.265 4
Mid Mid (pH 6-8) 3.38 8.74 -23.21 2 5 0 54 389.273 4
Mid Mid (pH 6-8) 3.38 8.74 -22.96 2 5 0 54 389.273 4

Activity (Go SEA)

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