UCSF

ZINC21791995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 No

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) 0.58 6.3 -35.36 2 5 0 75 309.387 4
Hi High (pH 8-9.5) 0.58 5.38 -52.6 1 5 -1 71 308.379 4

Activity (Go SEA)

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