UCSF

ZINC41588021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.59 11.75 -13.19 0 6 0 61 485.58 7
Mid Mid (pH 6-8) 5.59 14.64 -59.33 1 6 1 62 486.588 7

Activity (Go SEA)

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