UCSF

ZINC59685427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 23 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) 0.61 4.43 -14.52 1 9 0 117 438.174 6
Hi High (pH 8-9.5) 1.07 2.94 -52.22 0 9 -1 120 437.166 6

Activity (Go SEA)

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