UCSF

ZINC35837239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 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) 4.20 15.23 -10.91 0 6 0 53 459.516 4
Mid Mid (pH 6-8) 4.20 15.42 -33.01 1 6 1 54 460.524 4

Activity (Go SEA)

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