UCSF

ZINC34685599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 4.95 13.28 -22.52 0 6 0 53 489.66 8
Mid Mid (pH 6-8) 4.95 15.51 -62.41 1 6 1 54 490.668 8

Activity (Go SEA)

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