UCSF

ZINC52304795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 4.12 7.96 -5.95 0 2 0 18 232.352 2
Hi High (pH 8-9.5) 4.12 8.5 -45.26 0 2 -1 18 231.344 2

Activity (Go SEA)

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