UCSF

ZINC41669388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

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) 2.90 4.79 -14.63 0 8 0 74 466.534 6
Mid Mid (pH 6-8) 2.90 7.63 -59.87 1 8 1 75 467.542 6
Mid Mid (pH 6-8) 2.90 7.06 -56.2 1 8 1 75 467.542 6

Activity (Go SEA)

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