UCSF

ZINC45702557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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 3.23 -73.48 2 6 0 91 266.363 8
Hi High (pH 8-9.5) 0.19 1.51 -50.84 1 6 -1 90 265.355 8

Activity (Go SEA)

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