UCSF

ZINC53421296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.33 8.93 -33.95 1 3 1 23 264.389 6
Mid Mid (pH 6-8) 3.33 6.59 -4.71 0 3 0 22 263.381 6

Activity (Go SEA)

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