UCSF

ZINC08578776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2007 27 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) 5.77 11.75 -7.8 1 4 0 54 354.457 3
Mid Mid (pH 6-8) 5.77 12.84 -87.32 3 4 2 57 356.473 3

Activity (Go SEA)

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