UCSF

ZINC09636186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 26 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) 5.09 10.39 -13.54 1 4 0 63 378.478 5
Hi High (pH 8-9.5) 5.55 9.28 -48.6 0 4 -1 66 377.47 5

Activity (Go SEA)

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