UCSF

ZINC37501568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 20 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) -0.19 4.68 -13.61 1 5 0 66 269.304 4
Lo Low (pH 4.5-6) -0.19 5.14 -49.53 2 5 1 67 270.312 4

Activity (Go SEA)

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