UCSF

ZINC42741795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.55 7.65 -125.64 4 2 2 32 315.299 5
Mid Mid (pH 6-8) 3.55 6.48 -46.59 3 2 1 31 314.291 5

Activity (Go SEA)

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