UCSF

ZINC19983998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.30 2.75 -51.66 1 5 -1 86 260.266 5
Mid Mid (pH 6-8) 1.30 2.83 -98.85 0 5 -2 88 259.258 5

Activity (Go SEA)

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