UCSF

ZINC50346856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 18 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) 4.74 8.31 -1.34 2 2 0 29 311.267 2
Lo Low (pH 4.5-6) 4.74 8.36 -33.11 3 2 1 30 312.275 2

Activity (Go SEA)

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