UCSF

ZINC44650024

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.21 3.78 -52.62 3 6 1 83 281.361 5
Hi High (pH 8-9.5) 0.24 1.01 -67.35 2 6 0 86 280.353 5
Hi High (pH 8-9.5) 0.24 -0.36 -60.81 1 6 -1 81 279.345 5

Activity (Go SEA)

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