UCSF

ZINC09042846

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 32 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) 3.35 9.86 -60.27 0 8 -1 113 451.48 6
Mid Mid (pH 6-8) 3.80 9.69 -16.81 1 8 0 110 452.488 5

Activity (Go SEA)

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