UCSF

ZINC37828009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.33 5.28 -45.9 0 5 -1 64 281.357 5
Mid Mid (pH 6-8) 0.33 7.49 -69.29 1 5 0 65 282.365 5
Lo Low (pH 4.5-6) 0.33 5.52 -47.08 2 5 1 62 283.373 5

Activity (Go SEA)

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