UCSF

ZINC20648018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 3.03 5.78 -14.6 1 7 0 77 420.465 4
Mid Mid (pH 6-8) 3.03 6.41 -46.22 0 7 -1 80 419.457 4

Activity (Go SEA)

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