UCSF

ZINC35601544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 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) -1.32 0.99 -51.4 3 6 1 81 228.272 4
Hi High (pH 8-9.5) -1.32 -0.43 -13.12 2 6 0 76 227.264 4

Activity (Go SEA)

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