UCSF

ZINC37812341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.91 6.41 -43.13 3 5 1 74 271.381 7
Mid Mid (pH 6-8) 1.91 6.19 -9 2 5 0 73 270.373 7

Activity (Go SEA)

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