UCSF

ZINC37831657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.27 6.02 -64.73 1 5 0 65 226.276 3
Mid Mid (pH 6-8) -0.27 3.8 -45.27 0 5 -1 64 225.268 3
Lo Low (pH 4.5-6) -0.27 4.05 -41 2 5 1 62 227.284 3

Activity (Go SEA)

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