UCSF

ZINC01451500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 31 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) 4.90 10.92 -58.19 0 6 -1 86 449.533 5
Mid Mid (pH 6-8) 4.32 -1.35 -15.28 0 6 0 80 450.541 5

Activity (Go SEA)

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