UCSF

ZINC32547793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 14 No

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) 1.63 6.88 -36.25 1 2 1 14 216.37 3
Hi High (pH 8-9.5) 1.63 4.54 -2.69 0 2 0 12 215.362 3

Activity (Go SEA)

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