UCSF

ZINC09044867

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 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) 6.64 14.08 -56.07 0 5 -1 73 503.55 5
Mid Mid (pH 6-8) 7.09 14.07 -21.65 1 5 0 71 504.558 4

Activity (Go SEA)

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