UCSF

ZINC15018485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 28 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) 4.13 7.55 -19 2 9 0 129 443.63 5
Mid Mid (pH 6-8) 4.59 5.91 -36.54 1 9 -1 132 442.622 5
Mid Mid (pH 6-8) 4.59 5.65 -44.19 1 9 -1 132 442.622 5

Activity (Go SEA)

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