UCSF

ZINC01035432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 34 No

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) 5.43 11.82 -33.39 2 6 0 84 473.598 5
Mid Mid (pH 6-8) 5.89 10.47 -61.35 1 6 -1 87 472.59 5

Activity (Go SEA)

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