UCSF

ZINC34603615

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 4.92 7.12 -42.44 4 3 1 57 320.497 9
Hi High (pH 8-9.5) 4.92 6.78 -5.33 3 3 0 55 319.489 9

Activity (Go SEA)

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