UCSF

ZINC37853205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.59 6.59 -102.87 4 4 2 51 290.492 15
Mid Mid (pH 6-8) 2.59 4.48 -41.63 3 4 1 49 289.484 15

Activity (Go SEA)

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