UCSF

ZINC36637446

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) 6.17 15.32 -55.36 1 6 1 60 497.644 8
Hi High (pH 8-9.5) 6.17 12.86 -19.72 0 6 0 59 496.636 8

Activity (Go SEA)

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