UCSF

ZINC19236594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 29 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) 2.12 8.89 -16.85 2 6 0 78 390.487 6
Lo Low (pH 4.5-6) 2.12 9.33 -42.68 3 6 1 79 391.495 6

Activity (Go SEA)

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