UCSF

ZINC34985084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) -0.36 3.49 -112.08 5 9 1 129 432.497 6
Hi High (pH 8-9.5) -0.36 1.47 -46.65 3 9 -1 123 430.481 6
Mid Mid (pH 6-8) -0.36 1.73 -57.25 4 9 0 128 431.489 6
Mid Mid (pH 6-8) -0.36 3.15 -68.73 4 9 0 124 431.489 6

Activity (Go SEA)

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