UCSF

ZINC06460255

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 31 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) 3.97 2.14 -52.4 1 6 -1 97 444.866 9
Mid Mid (pH 6-8) 3.38 2.41 -53.25 0 6 -1 94 444.866 9

Activity (Go SEA)

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