UCSF

ZINC38289979

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 28 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) 2.81 3.18 -15.09 2 8 0 119 426.516 9
Hi High (pH 8-9.5) 2.81 3.31 -49.05 1 8 -1 121 425.508 9

Activity (Go SEA)

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