UCSF

ZINC37840937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.42 -5.4 -15.05 3 7 0 111 262.287 6
Hi High (pH 8-9.5) -0.96 -7.35 -46.9 2 7 -1 114 261.279 6

Activity (Go SEA)

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