UCSF

ZINC32219870

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.17 9.53 -100.82 0 4 -2 80 228.288 10
Lo Low (pH 4.5-6) 3.17 7.57 -50.8 1 4 -1 77 229.296 10

Activity (Go SEA)

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