UCSF

ZINC42810624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.10 0.73 -14.14 2 5 0 76 283.349 5
Hi High (pH 8-9.5) 1.10 0.81 -50.51 1 5 -1 78 282.341 5

Activity (Go SEA)

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