UCSF

ZINC42447080

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) 3.95 10.12 -41.45 1 2 1 22 266.792 4
Hi High (pH 8-9.5) 3.95 7.93 -8.09 0 2 0 20 265.784 4

Activity (Go SEA)

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