UCSF

ZINC06499331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 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) 2.94 8.57 -50.63 2 7 1 81 457.934 7
Mid Mid (pH 6-8) 2.36 9.29 -58.64 1 7 1 77 457.934 7

Activity (Go SEA)

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