UCSF

ZINC33587746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 1.37 10.78 -33.64 2 7 0 103 422.481 5
Hi High (pH 8-9.5) 1.37 9.48 -58.62 1 7 -1 99 421.473 5
Mid Mid (pH 6-8) 1.37 10.28 -52.78 1 7 -1 99 421.473 5

Activity (Go SEA)

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