UCSF

ZINC34837831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 2.48 11.76 -58.61 3 5 1 71 366.448 3
Hi High (pH 8-9.5) 2.48 11.43 -14.07 2 5 0 69 365.44 3

Activity (Go SEA)

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