UCSF

ZINC20401898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) 1.80 4.25 -48.75 3 4 1 53 288.415 8
Mid Mid (pH 6-8) 1.80 6.3 -33.4 3 4 1 53 288.415 8
Mid Mid (pH 6-8) 1.80 6.35 -108.42 4 4 2 54 289.423 8
Lo Low (pH 4.5-6) 1.80 6.85 -184.92 5 4 3 55 290.431 8

Activity (Go SEA)

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