UCSF

ZINC42454643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 1.15 6.34 -9.36 0 3 0 40 195.291 4
Lo Low (pH 4.5-6) 1.15 6.75 -32.88 1 3 1 41 196.299 4

Activity (Go SEA)

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