UCSF

ZINC34953660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 6.50 13.41 -18.9 1 5 0 68 483.376 7
Hi High (pH 8-9.5) 6.69 11.1 -47.38 0 5 -1 75 482.368 7

Activity (Go SEA)

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