UCSF

ZINC23368396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 1.74 7.26 -26.46 2 8 0 114 369.377 6
Hi High (pH 8-9.5) 2.19 6.03 -48.44 1 8 -1 117 368.369 6

Activity (Go SEA)

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