UCSF

ZINC41650178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 3.48 6.57 -10.53 0 6 0 61 377.396 2
Mid Mid (pH 6-8) 3.48 9.55 -41.73 1 6 1 62 378.404 2

Activity (Go SEA)

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