UCSF

ZINC19875560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.25 1.99 -7.37 2 2 0 32 195.649 3
Hi High (pH 8-9.5) 2.25 2.78 -41.01 1 2 -1 35 194.641 3
Mid Mid (pH 6-8) 2.25 3.51 -40.5 3 2 1 37 196.657 3

Activity (Go SEA)

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