UCSF

ZINC18203849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 20 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) 4.08 5.07 -8.99 1 4 0 54 331.169 2
Ref Reference (pH 7) 4.08 4.76 -9.8 1 4 0 54 331.169 2
Hi High (pH 8-9.5) 4.54 3.3 -42.26 0 4 -1 58 330.161 2
Hi High (pH 8-9.5) 4.54 2.78 -44.58 0 4 -1 58 330.161 2

Activity (Go SEA)

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