UCSF

ZINC34949021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 5.25 10.21 -12.47 0 5 0 50 492.616 8
Mid Mid (pH 6-8) 5.25 12.49 -43.2 1 5 1 51 493.624 8

Activity (Go SEA)

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