UCSF

ZINC25147660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 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) -1.01 1.05 -25.09 2 10 0 133 422.463 3
Hi High (pH 8-9.5) -0.10 -0.01 -52.47 1 10 -1 136 421.455 3

Activity (Go SEA)

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