UCSF

ZINC42908069

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) 3.02 7.82 -112.91 4 2 2 32 236.403 6
Hi High (pH 8-9.5) 3.02 7.52 -32.93 3 2 1 30 235.395 6
Mid Mid (pH 6-8) 3.02 6.35 -39.89 3 2 1 31 235.395 6

Activity (Go SEA)

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