UCSF

ZINC35807974

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 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) 3.58 9.39 -14.34 1 5 0 58 480.996 9
Lo Low (pH 4.5-6) 3.58 11.53 -63.01 2 5 1 59 482.004 9

Activity (Go SEA)

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