UCSF

ZINC52304882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 3.05 5.74 -4.59 0 3 0 27 254.742 3
Hi High (pH 8-9.5) 3.05 6.28 -41.17 0 3 -1 27 253.734 3

Activity (Go SEA)

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