UCSF

ZINC36159295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.47 8.63 -56.91 3 5 1 70 370.498 6
Hi High (pH 8-9.5) 2.93 5.88 -55.8 2 5 0 74 369.49 6
Hi High (pH 8-9.5) 2.47 6.32 -14.49 2 5 0 69 369.49 6

Activity (Go SEA)

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