UCSF

ZINC49957410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 18 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) 0.31 3.47 -47.48 2 5 -1 81 239.258 1
Hi High (pH 8-9.5) 1.12 4.71 -41.8 2 5 -1 74 239.258 1

Activity (Go SEA)

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