UCSF

ZINC21015313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 4.57 8.8 -58.57 1 3 0 54 269.344 1
Hi High (pH 8-9.5) 4.57 8.48 -59.39 0 3 -1 53 268.336 1

Activity (Go SEA)

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