UCSF

ZINC22176013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 0.93 3.83 -125.98 4 4 2 51 262.3 6
Mid Mid (pH 6-8) 0.93 1.49 -50.8 3 4 1 49 261.292 6

Activity (Go SEA)

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