UCSF

ZINC36785700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 Yes

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) 2.54 9.2 -32.98 1 5 0 62 259.309 4
Mid Mid (pH 6-8) 2.54 8.53 -58.78 0 5 -1 61 258.301 4
Mid Mid (pH 6-8) 2.54 8.99 -45 1 5 0 62 259.309 4

Activity (Go SEA)

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