UCSF

ZINC25132956

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 2.14 8.52 -14.63 1 6 0 73 353.451 7
Lo Low (pH 4.5-6) 2.14 8.99 -45.96 2 6 1 74 354.459 7

Activity (Go SEA)

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