UCSF

ZINC34681944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.32 12.22 -52.69 2 6 1 63 456.492 6
Lo Low (pH 4.5-6) 3.32 12.55 -111.14 3 6 2 64 457.5 6

Activity (Go SEA)

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