UCSF

ZINC58161996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 25 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) 2.26 9.65 -44.13 2 5 1 51 341.479 5
Mid Mid (pH 6-8) 2.26 8.06 -10.49 1 5 0 50 340.471 5

Activity (Go SEA)

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