UCSF

ZINC31918223

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) 4.08 10.9 -40.97 3 4 1 48 335.475 3
Hi High (pH 8-9.5) 4.08 8.54 -11.23 2 4 0 47 334.467 3
Lo Low (pH 4.5-6) 4.08 11.31 -89.89 4 4 2 49 336.483 3

Activity (Go SEA)

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