UCSF

ZINC28460557

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 30 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) 4.40 13.62 -107.55 4 4 2 52 409.618 10
Hi High (pH 8-9.5) 4.40 11.09 -52.84 3 4 1 51 408.61 10

Activity (Go SEA)

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