UCSF

ZINC31918244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 4.36 10.89 -40.28 3 4 1 48 335.475 4
Hi High (pH 8-9.5) 4.36 8.54 -11.17 2 4 0 47 334.467 4
Lo Low (pH 4.5-6) 4.36 11.31 -89.81 4 4 2 49 336.483 4

Activity (Go SEA)

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