UCSF

ZINC37786302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.33 7.74 -30.13 2 2 1 16 283.386 4
Mid Mid (pH 6-8) 3.33 6.82 -33.11 2 2 1 20 283.386 4

Activity (Go SEA)

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