UCSF

ZINC49028617

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 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) -0.09 5.19 -49.47 2 6 1 78 269.369 9
Hi High (pH 8-9.5) -0.09 2.92 -15.3 1 6 0 76 268.361 9

Activity (Go SEA)

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