UCSF

ZINC34022839

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 22 No

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) -4.07 -6.91 -220.67 4 12 -3 212 383.147 11
Mid Mid (pH 6-8) -4.07 -2.47 -348.32 3 12 -4 219 382.139 11
Lo Low (pH 4.5-6) -4.07 -8.26 -124.75 5 12 -2 209 384.155 11
Lo Low (pH 4.5-6) -4.07 -6.63 -206.04 4 12 -3 212 383.147 11

Activity (Go SEA)

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