UCSF

ZINC44380864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 18 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) 2.20 8.85 -50.3 1 3 1 31 258.288 7
Hi High (pH 8-9.5) 2.20 6.52 -7.42 0 3 0 30 257.28 7

Activity (Go SEA)

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