UCSF

ZINC38002971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 5.74 10.3 -45.45 2 1 1 17 379.265 5
Mid Mid (pH 6-8) 5.74 9.16 -3.48 1 1 0 12 378.257 5

Activity (Go SEA)

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