UCSF

ZINC51760064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 14 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) -0.70 1.62 -105.17 5 4 2 61 201.314 4
Hi High (pH 8-9.5) -0.70 -0.61 -49.8 4 4 1 60 200.306 4

Activity (Go SEA)

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