UCSF

ZINC36688307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 35 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) 6.83 10.94 -17.58 1 7 0 90 509.653 8
Mid Mid (pH 6-8) 6.83 10.97 -64.4 0 7 -1 92 508.645 8

Activity (Go SEA)

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