UCSF

ZINC29854983

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.52 7.7 -53.13 2 5 1 56 306.411 8
Hi High (pH 8-9.5) 2.52 5.38 -18.32 1 5 0 54 305.403 8
Mid Mid (pH 6-8) 2.34 6.62 -37.11 1 5 0 62 305.403 8

Activity (Go SEA)

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