UCSF

ZINC19261290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) -0.05 2.21 -44.99 5 5 1 80 278.376 3
Hi High (pH 8-9.5) -0.05 -0.06 -12.09 4 5 0 79 277.368 3

Activity (Go SEA)

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