UCSF

ZINC21112592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 27 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) 3.28 8.3 -28.34 2 7 0 104 399.863 7
Hi High (pH 8-9.5) 3.28 8.16 -49.26 1 7 -1 102 398.855 7

Activity (Go SEA)

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