UCSF

ZINC32071494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 25 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) -0.38 6.97 -105.86 3 7 0 106 346.362 4
Lo Low (pH 4.5-6) -3.97 6.02 -77.42 4 7 1 109 347.37 3

Activity (Go SEA)

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