UCSF

ZINC34935344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 5.86 14.66 -10.03 0 5 0 42 506.646 10
Mid Mid (pH 6-8) 5.86 16.63 -50.95 1 5 1 43 507.654 10

Activity (Go SEA)

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