UCSF

ZINC15975834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 35 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) 3.52 9.65 -27.81 2 8 0 102 494.548 6
Hi High (pH 8-9.5) 3.52 10.2 -70.09 1 8 -1 104 493.54 6

Activity (Go SEA)

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