UCSF

ZINC19811094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 1.58 5.09 -43.62 2 6 1 63 292.359 5
Hi High (pH 8-9.5) 1.58 2.66 -13.37 1 6 0 62 291.351 5

Activity (Go SEA)

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