UCSF

ZINC39303821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 3.02 10.08 -55.93 2 6 1 63 440.589 8
Hi High (pH 8-9.5) 3.21 8.76 -45.08 1 6 0 69 439.581 8

Activity (Go SEA)

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