UCSF

ZINC08990449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 25 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) 4.04 5.74 -7.59 2 4 0 61 359.763 2
Ref Reference (pH 7) 3.85 8.37 -8.16 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 3.85 8.36 -7.9 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 4.04 5.72 -8.58 2 4 0 61 359.763 2

Activity (Go SEA)

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