UCSF

ZINC01483335

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 27 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) 5.81 1.49 -15.04 0 4 0 37 404.341 7
Mid Mid (pH 6-8) 2.07 1.68 -29.99 1 4 1 40 405.349 7

Activity (Go SEA)

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