UCSF

ZINC34985519

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 4.72 9.72 -50.91 3 7 1 81 513.699 9
Hi High (pH 8-9.5) 4.72 8.01 -9.53 2 7 0 80 512.691 9
Mid Mid (pH 6-8) 4.72 10.28 -99.85 4 7 2 86 514.707 9

Activity (Go SEA)

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