UCSF

ZINC43801002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) -0.82 -0.18 -62.99 5 6 1 98 250.278 3
Hi High (pH 8-9.5) -0.82 -1.53 -23.05 4 6 0 93 249.27 3

Activity (Go SEA)

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