UCSF

ZINC19851647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 4.41 11.48 -45.57 1 5 1 35 419.545 8
Mid Mid (pH 6-8) 4.41 11.55 -47.57 1 5 1 35 419.545 8
Mid Mid (pH 6-8) 4.41 9.17 -9.26 0 5 0 34 418.537 8

Activity (Go SEA)

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