UCSF

ZINC35552807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 25 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) 4.45 12.48 -42.32 1 4 1 33 359.563 4
Mid Mid (pH 6-8) 4.45 10.26 -6.01 0 4 0 32 358.555 4

Activity (Go SEA)

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