UCSF

ZINC11820089

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 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) 2.69 -4.59 -48.57 3 7 1 80 414.555 8
Mid Mid (pH 6-8) 2.69 -4.39 -92.65 4 7 2 82 415.563 8

Activity (Go SEA)

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