UCSF

ZINC25915932

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 1.16 4.89 -54.28 4 7 1 92 349.455 9
Hi High (pH 8-9.5) 1.16 2.61 -25.27 3 7 0 91 348.447 9

Activity (Go SEA)

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