UCSF

ZINC37041853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.82 6.22 -6.93 3 3 0 55 262.397 8
Mid Mid (pH 6-8) 1.82 6.55 -43.57 4 3 1 57 263.405 8

Activity (Go SEA)

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