UCSF

ZINC11661194

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 28 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) 3.41 10.76 -47.19 1 6 1 64 402.902 6
Lo Low (pH 4.5-6) 3.41 11.11 -86.89 2 6 2 65 403.91 6

Activity (Go SEA)

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