UCSF

ZINC35448373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 2.08 10.69 -63.05 1 8 1 73 424.525 5
Mid Mid (pH 6-8) 2.08 8.34 -31.36 0 8 0 72 423.517 5

Activity (Go SEA)

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