UCSF

ZINC35888353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 2.55 5.91 -17.58 2 7 0 76 437.54 9
Mid Mid (pH 6-8) 2.55 8.17 -51.92 3 7 1 77 438.548 9

Activity (Go SEA)

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