UCSF

ZINC60010274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 1.37 4.34 -75.74 3 3 0 68 199.294 4
Lo Low (pH 4.5-6) 1.37 2.36 -52.94 4 3 1 65 200.302 4

Activity (Go SEA)

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