UCSF

ZINC44608812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.71 4.22 -49.18 3 3 1 44 268.45 5
Hi High (pH 8-9.5) 1.70 6.34 -29.25 3 3 1 43 268.45 5
Lo Low (pH 4.5-6) 1.71 6.24 -122.13 4 3 2 45 269.458 5

Activity (Go SEA)

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