UCSF

ZINC46085543

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 17 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) 0.22 0.47 -34.49 7 6 1 107 232.267 2
Hi High (pH 8-9.5) 0.39 0.47 -32.81 7 6 1 111 232.267 1

Activity (Go SEA)

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