UCSF

ZINC20754544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 2.22 11.13 -45.63 2 4 1 37 392.498 2
Mid Mid (pH 6-8) 2.22 8.75 -7.85 1 4 0 36 391.49 2

Activity (Go SEA)

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