UCSF

ZINC44898661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 2.69 5.6 -44.81 3 4 1 57 330.246 8
Hi High (pH 8-9.5) 2.69 4.06 -9.93 2 4 0 56 329.238 8

Activity (Go SEA)

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