UCSF

ZINC53150164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.07 7.08 -50.22 2 3 1 35 300.781 3
Hi High (pH 8-9.5) 3.07 5.87 -5.96 1 3 0 30 299.773 3

Activity (Go SEA)

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