UCSF

ZINC31704116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 33 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) 5.16 10.65 -49.68 3 5 1 56 486.105 6
Hi High (pH 8-9.5) 5.16 8.39 -9.89 2 5 0 55 485.097 6

Activity (Go SEA)

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