UCSF

ZINC23282602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 19 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) 3.83 8.84 -33.9 2 2 1 16 281.851 6
Mid Mid (pH 6-8) 3.83 7.78 -40.93 2 2 1 20 281.851 6

Activity (Go SEA)

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