UCSF

ZINC06088817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.88 -5 -25.13 2 11 0 145 496.596 9
Hi High (pH 8-9.5) 1.88 -4.42 -48.13 1 11 -1 147 495.588 9

Activity (Go SEA)

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