UCSF

ZINC34935367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.98 11.73 -8.12 1 6 0 54 500.426 8
Mid Mid (pH 6-8) 5.98 14 -50.79 2 6 1 55 501.434 8

Activity (Go SEA)

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