UCSF

ZINC40099489

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.75 3.68 -64.9 2 8 -1 119 503.325 9
Hi High (pH 8-9.5) 2.75 4.6 -120.68 1 8 -2 122 502.317 9
Lo Low (pH 4.5-6) 2.75 2.94 -19.82 3 8 0 117 504.333 9

Activity (Go SEA)

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