UCSF

ZINC37000650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 5.03 6.89 -3.81 2 2 0 32 354.675 5
Hi High (pH 8-9.5) 5.03 7.65 -38.68 1 2 -1 35 353.667 5
Mid Mid (pH 6-8) 5.03 7.94 -41.79 3 2 1 37 355.683 5

Activity (Go SEA)

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