UCSF

ZINC35807840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 4.20 10.55 -12.04 0 6 0 55 472.01 9
Lo Low (pH 4.5-6) 4.20 13.1 -63.72 1 6 1 56 473.018 9

Activity (Go SEA)

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