UCSF

ZINC37842149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.18 7.61 -11.7 2 4 0 56 280.327 3
Hi High (pH 8-9.5) 3.18 8.63 -58.02 1 4 -1 59 279.319 3

Activity (Go SEA)

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