UCSF

ZINC39884076

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.90 8.2 -26.26 3 9 0 132 512.544 4
Mid Mid (pH 6-8) 1.66 7.07 -54.79 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 6.65 -54.58 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 6.74 -54.49 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 6.93 -65.3 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 7.02 -65.82 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 6.73 -59.42 2 9 -1 135 511.536 5
Mid Mid (pH 6-8) 1.66 6.81 -59.55 2 9 -1 135 511.536 5

Activity (Go SEA)

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