UCSF

ZINC40994697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 3.88 7.43 -41.87 2 2 1 29 265.377 4
Hi High (pH 8-9.5) 3.88 6.25 -6.36 1 2 0 25 264.369 4

Activity (Go SEA)

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