UCSF

ZINC03991868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 19 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) 3.71 -3.38 -9.67 1 4 0 59 317.197 3
Hi High (pH 8-9.5) 3.71 -2.82 -36.1 0 4 -1 61 316.189 3

Activity (Go SEA)

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