UCSF

ZINC35752422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 1.24 2.91 -40.91 4 5 1 75 248.306 6
Hi High (pH 8-9.5) 1.24 1.62 -9.81 3 5 0 70 247.298 6

Activity (Go SEA)

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