UCSF

ZINC34950030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.16 9.64 -13.19 1 6 0 54 411.546 8
Mid Mid (pH 6-8) 3.16 11.9 -47.93 2 6 1 55 412.554 8

Activity (Go SEA)

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