UCSF

ZINC27840703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 25 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) 5.36 8.29 -9.4 1 5 0 64 352.415 2
Mid Mid (pH 6-8) 4.87 8.15 -40.68 0 5 -1 63 351.407 3

Activity (Go SEA)

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