UCSF

ZINC35454578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 5.77 14.67 -12.5 0 5 0 49 406.574 7
Mid Mid (pH 6-8) 5.77 14.98 -35.99 1 5 1 51 407.582 7

Activity (Go SEA)

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