UCSF

ZINC34568006

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 4.77 8.98 -35.83 1 5 1 51 362.405 5
Hi High (pH 8-9.5) 4.77 8.56 -9.98 0 5 0 50 361.397 5

Activity (Go SEA)

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