UCSF

ZINC31894541

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 2.09 3.36 -48.31 3 2 1 41 193.295 1
Hi High (pH 8-9.5) 2.09 2.96 -7.4 2 2 0 39 192.287 1

Activity (Go SEA)

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