UCSF

ZINC35544403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 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) 3.28 11.92 -48.03 1 5 1 37 406.55 4
Mid Mid (pH 6-8) 3.28 9.64 -10.94 0 5 0 36 405.542 4

Activity (Go SEA)

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