UCSF

ZINC39335493

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 No

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) 3.29 6.9 -12.98 2 5 0 67 325.393 3
Hi High (pH 8-9.5) 3.48 5.23 -54.04 1 5 -1 73 324.385 3

Activity (Go SEA)

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