UCSF

ZINC31996687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.39 -0.15 -42.03 3 3 1 40 185.291 2
Hi High (pH 8-9.5) 0.39 0.63 -32.79 3 3 1 37 185.291 2
Hi High (pH 8-9.5) 0.39 -1.55 -3.29 2 3 0 35 184.283 2
Lo Low (pH 4.5-6) 0.39 2.07 -109.62 4 3 2 41 186.299 2

Activity (Go SEA)

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