UCSF

ZINC41538544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 1.97 6.56 -43.29 2 4 1 37 290.431 7
Hi High (pH 8-9.5) 1.97 4.29 -9.34 1 4 0 36 289.423 7

Activity (Go SEA)

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