UCSF

ZINC41495464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 4.90 9.09 -49.38 2 5 0 76 322.364 4
Hi High (pH 8-9.5) 4.90 8.65 -58.29 1 5 -1 74 321.356 4

Activity (Go SEA)

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