UCSF

ZINC24303376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 39 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) 4.54 9.98 -59.62 0 8 -1 91 533.645 13
Mid Mid (pH 6-8) 4.54 12.31 -72.51 1 8 0 93 534.653 13

Activity (Go SEA)

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