UCSF

ZINC34989445

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

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) 4.30 11.56 -54.14 1 5 1 67 293.387 10
Hi High (pH 8-9.5) 4.30 9.58 -13.87 0 5 0 66 292.379 10

Activity (Go SEA)

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