UCSF

ZINC46591949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.97 6.81 -14.2 2 5 0 75 366.442 5
Hi High (pH 8-9.5) 3.97 7.23 -63.43 1 5 -1 77 365.434 5

Activity (Go SEA)

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