UCSF

ZINC33510314

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 37 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) 5.24 14.66 -54.43 0 6 -1 79 502.562 10
Lo Low (pH 4.5-6) 5.24 13.36 -19.6 1 6 0 76 503.57 10

Activity (Go SEA)

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