UCSF

ZINC09461036

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 5.95 13.94 -44.39 0 6 -1 79 498.599 10
Mid Mid (pH 6-8) 5.37 1.21 -17.21 0 6 0 72 499.607 10

Activity (Go SEA)

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