UCSF

ZINC44647185

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -0.73 0.97 -40.84 3 4 1 49 186.279 4
Hi High (pH 8-9.5) -0.73 -0.38 -7.34 2 4 0 44 185.271 4
Mid Mid (pH 6-8) -0.73 2.27 -100.76 4 4 2 54 187.287 4

Activity (Go SEA)

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