UCSF

ZINC02461763

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 26 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) 4.44 13.91 -7.81 1 6 0 69 372.856 4
Hi High (pH 8-9.5) 4.62 13.87 -34.61 0 6 -1 71 371.848 4

Activity (Go SEA)

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