UCSF

ZINC62272021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 22 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) 3.14 8.35 -38.26 2 4 1 43 327.876 11
Hi High (pH 8-9.5) 3.14 5.85 -8.3 1 4 0 42 326.868 11

Activity (Go SEA)

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