UCSF

ZINC37877409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 3.14 7.71 -106.45 4 3 2 41 284.488 6
Mid Mid (pH 6-8) 3.14 5.61 -40.93 3 3 1 40 283.48 6

Activity (Go SEA)

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