UCSF

ZINC36685708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 29 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) 5.98 13.63 -16.81 1 3 0 42 420.534 6
Hi High (pH 8-9.5) 6.17 12.23 -48.06 0 3 -1 48 419.526 6

Activity (Go SEA)

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