UCSF

ZINC14999482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 37 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) 3.88 12.78 -18.02 1 6 0 72 497.639 6
Lo Low (pH 4.5-6) 3.88 13.06 -48.81 2 6 1 73 498.647 6

Activity (Go SEA)

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