UCSF

ZINC08781002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 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) 6.98 13.5 -13.61 1 7 0 104 433.489 4
Mid Mid (pH 6-8) 6.49 13.62 -44.72 0 7 -1 103 432.481 5

Activity (Go SEA)

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