UCSF

ZINC39914892

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 35 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) 5.66 10.36 -13.04 2 6 0 78 506.027 6
Mid Mid (pH 6-8) 5.66 11.13 -50.38 1 6 -1 81 505.019 6

Activity (Go SEA)

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