UCSF

ZINC09191698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 28 Yes

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) 4.18 10.62 -9.96 2 5 0 82 408.552 5
Mid Mid (pH 6-8) 4.18 -1.19 -38.62 3 5 1 82 409.56 5

Activity (Go SEA)

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