UCSF

ZINC36640510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) 6.39 14.9 -50.94 1 6 1 56 504.676 11
Hi High (pH 8-9.5) 6.39 12.87 -16.01 0 6 0 55 503.668 11

Activity (Go SEA)

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