UCSF

ZINC54313346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 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) 3.61 7.61 -15.91 0 6 0 65 414.461 4
Mid Mid (pH 6-8) 3.61 8.36 -47.08 1 6 1 66 415.469 4

Activity (Go SEA)

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