UCSF

ZINC20055714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 10 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) -0.51 -0.74 -33.73 3 3 1 46 146.21 4
Hi High (pH 8-9.5) -0.51 -2.24 -5.5 2 3 0 41 145.202 4

Activity (Go SEA)

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