UCSF

ZINC23361888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.34 7.81 -19.03 2 6 0 84 396.463 8
Hi High (pH 8-9.5) 3.53 6.74 -48.87 1 6 -1 90 395.455 8

Activity (Go SEA)

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