UCSF

ZINC60619272

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 28 No

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) 2.78 6.6 -52.62 1 9 -1 135 406.44 8
Mid Mid (pH 6-8) 2.78 5.65 -47.7 1 9 -1 135 406.44 8
Mid Mid (pH 6-8) 2.78 5.62 -23.79 2 9 0 133 407.448 8
Mid Mid (pH 6-8) 2.78 6.63 -95.88 0 9 -2 137 405.432 8

Activity (Go SEA)

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