UCSF

ZINC36476740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.58 7.31 -56.39 1 7 1 69 354.434 4
Hi High (pH 8-9.5) 1.58 4.93 -15.6 0 7 0 67 353.426 4

Activity (Go SEA)

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