UCSF

ZINC35892950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 26 Yes

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) 4.22 13.33 -40.73 1 4 1 33 371.574 3
Mid Mid (pH 6-8) 4.22 11.17 -6.26 0 4 0 32 370.566 3

Activity (Go SEA)

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