UCSF

ZINC31962909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.34 0.73 -53.15 4 5 1 73 195.246 3
Hi High (pH 8-9.5) -0.34 0.35 -12.37 3 5 0 71 194.238 3
Mid Mid (pH 6-8) -0.34 1.01 -94.62 5 5 2 74 196.254 3

Activity (Go SEA)

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