UCSF

ZINC37822252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.43 6.47 -40.93 3 4 1 57 265.377 6
Hi High (pH 8-9.5) 1.43 6.16 -6.15 2 4 0 56 264.369 6

Activity (Go SEA)

Rings

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