UCSF

ZINC49096250

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 28 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) 0.65 5.04 -85.62 2 7 0 88 385.464 5
Mid Mid (pH 6-8) 0.65 4.91 -81.64 2 7 0 88 385.464 5
Mid Mid (pH 6-8) 0.65 2.67 -70.29 1 7 -1 87 384.456 5

Activity (Go SEA)

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