UCSF

ZINC31978692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 4.07 9.44 -70.79 1 4 0 54 291.391 6
Hi High (pH 8-9.5) 4.07 7.26 -48.77 0 4 -1 53 290.383 6

Activity (Go SEA)

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