UCSF

ZINC50546189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 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) 3.06 7.9 -48.17 0 4 -1 53 260.313 2
Lo Low (pH 4.5-6) 3.06 8.06 -57.99 1 4 0 54 261.321 2

Activity (Go SEA)

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