UCSF

ZINC33686957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 20 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) 5.00 8.22 -10.97 1 2 0 37 394.062 1
Mid Mid (pH 6-8) 5.00 8.99 -47.07 0 2 -1 40 393.054 1

Activity (Go SEA)

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