UCSF

ZINC42901995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 2.78 7.58 -113.43 4 2 2 32 236.403 6
Hi High (pH 8-9.5) 2.78 7.3 -31.69 3 2 1 30 235.395 6
Mid Mid (pH 6-8) 2.78 6.15 -39.09 3 2 1 31 235.395 6

Activity (Go SEA)

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