UCSF

ZINC36685701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 32 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) 7.67 16.11 -16.98 1 3 0 42 479.07 8
Hi High (pH 8-9.5) 7.86 14.69 -47.6 0 3 -1 48 478.062 8

Activity (Go SEA)

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