UCSF

ZINC34685581

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.35 12.53 -16.91 0 6 0 53 469.585 5
Mid Mid (pH 6-8) 3.35 14.88 -56.49 1 6 1 54 470.593 5

Activity (Go SEA)

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