UCSF

ZINC37802038

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) 1.26 3.64 -39.38 3 4 1 51 294.444 4
Mid Mid (pH 6-8) 1.26 5.88 -96.1 4 4 2 52 295.452 4

Activity (Go SEA)

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