UCSF

ZINC03215361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 37 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) 2.47 -4.05 -29.97 2 10 0 120 520.567 6
Hi High (pH 8-9.5) 2.47 -3.56 -71.61 1 10 -1 122 519.559 6

Activity (Go SEA)

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