UCSF

ZINC62954937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 2.81 8.22 -32.68 1 2 1 22 224.368 2
Hi High (pH 8-9.5) 2.81 6.06 -3.62 0 2 0 20 223.36 2

Activity (Go SEA)

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