UCSF

ZINC09333748

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 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) 3.96 11.43 -59.83 0 9 -1 128 478.506 7
Mid Mid (pH 6-8) 4.41 11.71 -18.87 1 9 0 126 479.514 6

Activity (Go SEA)

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