UCSF

ZINC32122875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.55 6.92 -50.14 0 5 -1 70 276.312 8
Lo Low (pH 4.5-6) 1.55 5.8 -11.42 1 5 0 67 277.32 8

Activity (Go SEA)

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