UCSF

ZINC33594000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 0.42 11.7 -57.47 2 9 -1 136 513.526 8
Mid Mid (pH 6-8) 0.42 11.35 -41.26 3 9 0 141 514.534 8
Mid Mid (pH 6-8) 0.42 12.69 -54.19 3 9 0 141 514.534 8

Activity (Go SEA)

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