UCSF

ZINC36871959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.67 6.52 -127.12 4 3 2 35 235.375 4
Hi High (pH 8-9.5) 1.67 4.25 -2.31 2 3 0 32 233.359 4
Mid Mid (pH 6-8) 1.67 4.64 -41.76 3 3 1 34 234.367 4
Mid Mid (pH 6-8) 1.67 6.2 -37.98 3 3 1 34 234.367 4

Activity (Go SEA)

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