UCSF

ZINC38582672

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 No

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) 5.04 9.56 -46.22 3 7 1 82 475.019 4
Hi High (pH 8-9.5) 5.04 9.22 -40.3 2 7 0 85 474.011 4

Activity (Go SEA)

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