UCSF

ZINC36637702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 6.63 16.03 -46.42 1 4 1 38 444.624 8
Hi High (pH 8-9.5) 6.63 13.92 -10.73 0 4 0 36 443.616 8

Activity (Go SEA)

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