UCSF

ZINC25985039

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 27 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) 4.02 7.29 -10.6 2 6 0 84 357.369 4
Hi High (pH 8-9.5) 4.47 6.48 -44.47 1 6 -1 87 356.361 4

Activity (Go SEA)

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