UCSF

ZINC22929682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 1.50 5.05 -42.56 3 6 1 66 349.43 6
Hi High (pH 8-9.5) 1.50 5.02 -45.39 3 6 1 66 349.43 6
Mid Mid (pH 6-8) 1.50 2.7 -12.46 2 6 0 65 348.422 6

Activity (Go SEA)

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