UCSF

ZINC04171529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 4.91 -1.1 -12.53 1 4 0 62 414.549 6
Mid Mid (pH 6-8) 5.49 0.82 -37.18 3 4 1 67 415.557 5
Mid Mid (pH 6-8) 4.91 0.18 -41 2 4 1 63 415.557 6

Activity (Go SEA)

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