UCSF

ZINC52964892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 27 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) 1.03 7.01 -17.33 1 7 0 73 369.469 3
Lo Low (pH 4.5-6) 1.03 7.5 -52.24 2 7 1 74 370.477 3

Activity (Go SEA)

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