UCSF

ZINC35457571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.45 10.96 -15.55 0 6 0 69 392.503 4
Lo Low (pH 4.5-6) 3.45 11.38 -47.32 1 6 1 71 393.511 4

Activity (Go SEA)

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