UCSF

ZINC37795767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.09 8.86 -54.71 1 6 -1 87 284.295 5
Mid Mid (pH 6-8) 1.09 9.37 -75.48 2 6 0 88 285.303 5
Lo Low (pH 4.5-6) 1.09 7.37 -45.18 3 6 1 85 286.311 5

Activity (Go SEA)

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