UCSF

ZINC31866371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.19 13.01 -16.1 1 6 0 61 471.63 7
Lo Low (pH 4.5-6) 4.19 14.8 -54.28 2 6 1 63 472.638 7

Activity (Go SEA)

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