UCSF

ZINC45699594

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) 0.42 5.03 -100.65 4 5 2 59 270.421 10
Hi High (pH 8-9.5) 0.42 3.67 -37.93 3 5 1 55 269.413 10

Activity (Go SEA)

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