UCSF

ZINC31934437

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) 1.75 9.77 -70.54 1 6 0 75 336.395 4
Hi High (pH 8-9.5) 1.75 7.41 -56.25 0 6 -1 74 335.387 4
Lo Low (pH 4.5-6) 1.75 10.18 -111.91 2 6 1 76 337.403 4

Activity (Go SEA)

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