UCSF

ZINC35544579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 29 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) 2.97 12.48 -53.84 1 7 1 74 395.483 4
Mid Mid (pH 6-8) 2.97 10.06 -13.13 0 7 0 73 394.475 4

Activity (Go SEA)

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