UCSF

ZINC33812680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 2.06 15.37 -113.58 1 9 0 116 517.677 9
Mid Mid (pH 6-8) 2.06 10.47 -65.09 0 9 -1 114 516.669 9

Activity (Go SEA)

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