UCSF

ZINC12448663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) 3.43 12.36 -111.12 2 3 2 22 329.532 4
Lo Low (pH 4.5-6) 3.43 12.64 -187.02 3 3 3 23 330.54 4

Activity (Go SEA)

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