UCSF

ZINC31718067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 27 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) 3.07 4.62 -17.86 2 7 0 84 433.306 6
Mid Mid (pH 6-8) 3.07 4.88 -52.13 3 7 1 85 434.314 6

Activity (Go SEA)

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