UCSF

ZINC31978613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.26 10.09 -33.02 1 3 1 31 262.373 4
Hi High (pH 8-9.5) 3.26 7.65 -9.63 0 3 0 30 261.365 4

Activity (Go SEA)

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