UCSF

ZINC08779417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 32 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) 2.96 -1.03 -52.54 2 7 1 80 457.934 7
Mid Mid (pH 6-8) 2.38 -1.13 -63.54 1 7 1 77 457.934 7

Activity (Go SEA)

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