UCSF

ZINC21739929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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 6.65 -14.12 1 9 0 116 394.482 7
Hi High (pH 8-9.5) 2.76 5.6 -38.75 0 9 -1 119 393.474 7

Activity (Go SEA)

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