UCSF

ZINC52258600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.76 6.69 -48.21 1 3 -1 60 221.276 5
Lo Low (pH 4.5-6) 2.76 4.44 -6.52 2 3 0 58 222.284 5

Activity (Go SEA)

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