UCSF

ZINC19476386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 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) -0.13 1.55 -81.58 5 4 2 59 186.303 4
Hi High (pH 8-9.5) -0.13 -0.93 -35.27 4 4 1 58 185.295 4
Mid Mid (pH 6-8) -0.13 1.47 -96.47 5 4 2 59 186.303 4

Activity (Go SEA)

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