UCSF

ZINC31865743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 4.85 12.98 -11.23 0 5 0 41 442.588 5
Mid Mid (pH 6-8) 4.85 15.22 -54.79 1 5 1 42 443.596 5

Activity (Go SEA)

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