UCSF

ZINC38907103

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 29 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) 3.49 9.97 -35.74 2 5 1 50 391.47 5
Hi High (pH 8-9.5) 3.49 9.66 -12.06 1 5 0 48 390.462 5
Mid Mid (pH 6-8) 3.49 12.19 -101.04 3 5 2 51 392.478 5
Mid Mid (pH 6-8) 3.49 11.87 -46.48 2 5 1 50 391.47 5

Activity (Go SEA)

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