UCSF

ZINC34548845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 5.18 8.17 -14.4 1 6 0 66 458.436 7
Lo Low (pH 4.5-6) 5.18 8.83 -32.34 2 6 1 67 459.444 7

Activity (Go SEA)

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