UCSF

ZINC35550818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 31 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) 5.19 14.4 -36.06 1 5 1 51 435.979 4
Mid Mid (pH 6-8) 5.19 14.09 -11.93 0 5 0 49 434.971 4

Activity (Go SEA)

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