UCSF

ZINC35285839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 4.43 8.33 -37.76 2 1 1 17 258.838 3
Hi High (pH 8-9.5) 4.43 7.28 -1.47 1 1 0 12 257.83 3

Activity (Go SEA)

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