UCSF

ZINC23361775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.53 8.67 -15.9 2 6 0 84 374.51 8
Hi High (pH 8-9.5) 3.72 7.65 -44.1 1 6 -1 90 373.502 8

Activity (Go SEA)

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