UCSF

ZINC06459015

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 35 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) 3.19 3.03 -57.68 1 8 -1 116 478.521 12
Mid Mid (pH 6-8) 2.61 3.38 -64.94 0 8 -1 113 478.521 12

Activity (Go SEA)

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