UCSF

ZINC16577042

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 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) 0.09 0.67 -51.78 2 9 -1 129 342.335 6
Mid Mid (pH 6-8) -0.36 3.19 -14.51 3 9 0 126 343.343 6

Activity (Go SEA)

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