UCSF

ZINC32819057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 23 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) 2.62 7.87 -39.59 2 4 1 47 321.416 6
Hi High (pH 8-9.5) 2.62 5.83 -7.06 1 4 0 45 320.408 6

Activity (Go SEA)

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