UCSF

ZINC37025518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) -0.18 1.92 -10.49 1 4 0 42 186.255 4
Mid Mid (pH 6-8) -0.18 3.21 -52.08 2 4 1 46 187.263 4

Activity (Go SEA)

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