UCSF

ZINC09244140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 5.29 12.84 -55.37 0 7 -1 100 507.563 7
Mid Mid (pH 6-8) 5.74 12.86 -22.79 1 7 0 97 508.571 6

Activity (Go SEA)

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