UCSF

ZINC33918920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.71 8.52 -58.33 2 5 1 56 420.327 5
Hi High (pH 8-9.5) 2.71 6.37 -18.92 1 5 0 55 419.319 5

Activity (Go SEA)

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