UCSF

ZINC45698490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.25 7.31 -98.65 4 4 2 50 330.27 8
Hi High (pH 8-9.5) 2.25 5.98 -38.19 3 4 1 46 329.262 8

Activity (Go SEA)

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