UCSF

ZINC60206487

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 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) 3.75 6.24 -10.44 1 4 0 51 322.137 2
Hi High (pH 8-9.5) 3.75 5.82 -38.16 0 4 -1 49 321.129 2

Activity (Go SEA)

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