UCSF

ZINC39227999

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 3.92 8.93 -44.26 4 6 1 79 460.598 4
Hi High (pH 8-9.5) 3.92 6.81 -12.88 3 6 0 78 459.59 4

Activity (Go SEA)

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