UCSF

ZINC31867350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.31 8.27 -48.14 2 5 1 59 339.51 7
Hi High (pH 8-9.5) 2.31 5.73 -12.08 1 5 0 58 338.502 7

Activity (Go SEA)

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