UCSF

ZINC08195505

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 22 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) 4.61 -0.72 -8.43 1 3 0 46 349.761 4
Hi High (pH 8-9.5) 4.61 -0.32 -38.49 0 3 -1 48 348.753 4

Activity (Go SEA)

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