UCSF

ZINC36235823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 4.68 6.49 -32.24 1 7 -1 114 358.33 3
Mid Mid (pH 6-8) 4.68 5.71 -17.06 2 7 0 111 359.338 3

Activity (Go SEA)

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