UCSF

ZINC09056896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 29 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) 4.29 4.9 -15.57 2 10 0 155 500.308 5
Mid Mid (pH 6-8) 4.29 5.89 -51.59 1 10 -1 157 499.3 5
Mid Mid (pH 6-8) 4.29 5.92 -55.25 1 10 -1 157 499.3 5

Activity (Go SEA)

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