UCSF

ZINC45648323

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) -0.19 0.32 -41.58 3 5 1 58 244.359 6
Hi High (pH 8-9.5) -0.19 -1.03 -7.73 2 5 0 54 243.351 6

Activity (Go SEA)

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