UCSF

ZINC36170984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) -0.09 4.47 -108.75 4 5 2 54 293.411 4
Hi High (pH 8-9.5) -0.09 2.26 -49.25 3 5 1 53 292.403 4
Hi High (pH 8-9.5) -0.09 1.47 -5.48 2 5 0 51 291.395 4
Mid Mid (pH 6-8) -0.09 3.75 -39.37 3 5 1 52 292.403 4

Activity (Go SEA)

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