UCSF

ZINC13995793

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 22 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) 3.06 7.86 -37.54 1 4 1 26 307.458 8
Mid Mid (pH 6-8) 3.06 7.91 -35.41 1 4 1 26 307.458 8
Mid Mid (pH 6-8) 3.06 6.04 -4.49 0 4 0 25 306.45 8
Lo Low (pH 4.5-6) 3.06 9.19 -100.62 2 4 2 27 308.466 8

Activity (Go SEA)

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