UCSF

ZINC44126718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 3.19 10.91 -50.78 1 6 1 60 355.499 7
Hi High (pH 8-9.5) 3.19 8.97 -9.25 0 6 0 59 354.491 7

Activity (Go SEA)

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