UCSF

ZINC36904427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) -0.54 2.6 -41.11 3 5 1 66 228.316 3
Hi High (pH 8-9.5) -0.54 1.3 -4.94 2 5 0 61 227.308 3

Activity (Go SEA)

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