UCSF

ZINC44243344

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 No

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) 1.63 1.05 -8.67 1 4 0 59 344.028 4
Hi High (pH 8-9.5) 1.63 0.66 -33.33 0 4 -1 61 343.02 4

Activity (Go SEA)

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