UCSF

ZINC20408070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 32 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) 5.07 12.66 -10.28 1 4 0 28 486.003 10
Mid Mid (pH 6-8) 5.07 14.99 -44.18 2 4 1 29 487.011 10

Activity (Go SEA)

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