UCSF

ZINC57813563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 19 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) 0.00 2.75 -16.39 2 6 0 79 299.739 3
Mid Mid (pH 6-8) 0.18 0.14 -51.31 1 6 -1 85 298.731 3

Activity (Go SEA)

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