UCSF

ZINC15016520

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 4.32 8.23 -8.74 1 5 0 67 387.823 1
Mid Mid (pH 6-8) 4.78 5.83 -38.42 0 5 -1 70 386.815 1
Mid Mid (pH 6-8) 4.78 6.27 -40.02 0 5 -1 70 386.815 1

Activity (Go SEA)

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