UCSF

ZINC34130533

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 11 No

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) 0.36 1.35 -8.12 1 4 0 49 156.185 1
Hi High (pH 8-9.5) -0.01 -1.22 -45.28 0 4 -1 56 155.177 1

Activity (Go SEA)

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