UCSF

ZINC37792030

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) 2.71 7.31 -68.26 2 5 -1 85 285.323 3
Lo Low (pH 4.5-6) 2.71 5.95 -16.08 3 5 0 82 286.331 3

Activity (Go SEA)

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