UCSF

ZINC34679324

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 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) 5.16 13.77 -17.73 1 5 0 62 517.551 9
Lo Low (pH 4.5-6) 5.16 14.23 -50.1 2 5 1 64 518.559 9

Activity (Go SEA)

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