UCSF

ZINC42447179

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.15 7.36 -39.51 2 4 1 38 251.398 4
Hi High (pH 8-9.5) 2.15 5.89 -4.11 1 4 0 33 250.39 4

Activity (Go SEA)

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