UCSF

ZINC35403455

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 5.02 13.82 -9.93 0 5 0 49 479.422 4
Mid Mid (pH 6-8) 5.02 14.14 -33.55 1 5 1 51 480.43 4

Activity (Go SEA)

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