UCSF

ZINC13003410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 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) 2.83 10.17 -74.26 1 7 0 87 424.497 10
Mid Mid (pH 6-8) 2.25 11.06 -54.29 1 7 1 81 425.505 10

Activity (Go SEA)

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