UCSF

ZINC34568719

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 5.66 15.17 -46.81 1 3 0 45 385.507 6
Hi High (pH 8-9.5) 5.66 13.98 -46.82 0 3 -1 43 384.499 6

Activity (Go SEA)

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