UCSF

ZINC31918058

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) 4.23 11.06 -40.95 3 4 1 48 337.491 7
Hi High (pH 8-9.5) 4.23 8.79 -10.87 2 4 0 47 336.483 7
Lo Low (pH 4.5-6) 4.23 11.47 -89.29 4 4 2 49 338.499 7

Activity (Go SEA)

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