UCSF

ZINC45703132

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 0.41 5.49 -74.34 1 6 0 82 280.39 10
Hi High (pH 8-9.5) 0.41 3.01 -51.7 0 6 -1 81 279.382 10

Activity (Go SEA)

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