UCSF

ZINC09042540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 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) 5.48 11.47 -54.16 0 6 -1 83 493.923 5
Mid Mid (pH 6-8) 5.93 10.72 -9.55 1 6 0 80 494.931 4

Activity (Go SEA)

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