UCSF

ZINC56908326

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.39 6.59 -41.58 2 4 1 43 281.351 5
Hi High (pH 8-9.5) 2.20 3.42 -44.6 0 4 -1 48 279.335 5

Activity (Go SEA)

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