UCSF

ZINC37878310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 1.38 2.17 -39.42 3 5 1 59 297.419 10
Mid Mid (pH 6-8) 1.38 2.95 -34.41 3 5 1 55 297.419 10

Activity (Go SEA)

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