UCSF

ZINC36638095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 38 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) 6.41 14.8 -44.01 1 7 1 69 525.654 8
Hi High (pH 8-9.5) 6.41 12.39 -10.66 0 7 0 68 524.646 8

Activity (Go SEA)

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