UCSF

ZINC41514102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

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) 2.04 4.64 -41.93 3 7 1 91 399.467 5
Hi High (pH 8-9.5) 2.04 3.14 -48.99 1 7 -1 93 397.451 5
Mid Mid (pH 6-8) 2.04 5.4 -28.68 2 7 0 94 398.459 5
Mid Mid (pH 6-8) 2.04 4.69 -40.83 3 7 1 91 399.467 5
Mid Mid (pH 6-8) 2.04 2.39 -12.18 2 7 0 90 398.459 5

Activity (Go SEA)

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