UCSF

ZINC20246022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -0.53 -1.89 -18.99 4 7 0 115 247.21 2
Hi High (pH 8-9.5) -0.07 -3.68 -47.88 3 7 -1 118 246.202 2

Activity (Go SEA)

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