UCSF

ZINC25973397

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 21 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) 1.14 3.29 -45.14 4 6 1 92 295.359 8
Hi High (pH 8-9.5) 1.14 1.93 -14.86 3 6 0 88 294.351 8

Activity (Go SEA)

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