UCSF

ZINC44514670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 1.76 6.31 -83.08 4 4 2 58 258.369 2
Hi High (pH 8-9.5) 1.76 6.17 -52.09 3 4 1 57 257.361 2
Mid Mid (pH 6-8) 1.76 6.28 -81.6 4 4 2 58 258.369 2
Lo Low (pH 4.5-6) 1.76 6.43 -164.85 5 4 3 59 259.377 2

Activity (Go SEA)

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