UCSF

ZINC39869832

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.23 8.69 -57.95 2 6 -1 96 462.938 7
Mid Mid (pH 6-8) 5.23 9.32 -18.82 3 6 0 94 463.946 7

Activity (Go SEA)

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