UCSF

ZINC44825407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 2.35 6.22 -10.24 1 4 0 66 249.339 5
Hi High (pH 8-9.5) 2.54 4.78 -38.93 0 4 -1 72 248.331 5

Activity (Go SEA)

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