UCSF

ZINC31978389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.44 6.01 -58.63 2 5 0 74 280.368 7
Hi High (pH 8-9.5) 1.44 3.72 -54.24 1 5 -1 72 279.36 7
Lo Low (pH 4.5-6) 1.44 4.89 -47.3 3 5 1 71 281.376 7

Activity (Go SEA)

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