UCSF

ZINC34588611

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 1.86 5.09 -101.08 1 6 -2 105 326.102 2
Mid Mid (pH 6-8) 1.86 6.08 -201.02 0 6 -3 108 325.094 2
Lo Low (pH 4.5-6) 1.86 4.01 -24.16 2 6 0 109 327.11 2

Activity (Go SEA)

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