UCSF

ZINC35122542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 1.54 8.66 -42.26 1 5 0 71 246.266 4
Mid Mid (pH 6-8) 1.54 8.2 -48.4 0 5 -1 69 245.258 4

Activity (Go SEA)

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