UCSF

ZINC01191072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 25 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) 5.24 9.02 -10.59 1 5 0 72 352.415 4
Ref Reference (pH 7) 5.24 9.46 -11.55 1 5 0 72 352.415 4
Ref Reference (pH 7) 4.75 8.89 -45 0 5 -1 70 351.407 5

Activity (Go SEA)

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