UCSF

ZINC44269204

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.88 5.47 -8.8 3 4 0 68 270.723 2
Lo Low (pH 4.5-6) 2.88 5.69 -31.54 4 4 1 69 271.731 2

Activity (Go SEA)

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