UCSF

ZINC04695943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 24 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) 3.22 6.26 -15.38 1 8 0 110 351.384 5
Mid Mid (pH 6-8) 3.22 6.79 -54.36 0 8 -1 112 350.376 5
Mid Mid (pH 6-8) 3.22 7.33 -53.84 0 8 -1 112 350.376 5

Activity (Go SEA)

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