UCSF

ZINC37792036

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) 2.31 7.85 -65.4 2 5 -1 85 285.323 4
Lo Low (pH 4.5-6) 2.31 5.33 -19.18 3 5 0 82 286.331 4

Activity (Go SEA)

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