UCSF

ZINC01846044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 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) 2.63 8.22 -39.13 2 6 1 55 380.468 3
Mid Mid (pH 6-8) 2.63 5.93 -9.04 1 6 0 54 379.46 3

Activity (Go SEA)

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