UCSF

ZINC37840868

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) -1.26 -1.1 -55.21 4 8 1 118 315.375 4
Hi High (pH 8-9.5) -1.26 -2.87 -18.13 3 8 0 117 314.367 4

Activity (Go SEA)

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