UCSF

ZINC19368974

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 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) -0.99 -1.09 -118.48 6 4 2 74 192.303 8
Hi High (pH 8-9.5) -0.99 -1.46 -38.86 5 4 1 72 191.295 8

Activity (Go SEA)

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