UCSF

ZINC21742169

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 4.13 8.29 -26.23 3 6 0 94 422.293 6
Hi High (pH 8-9.5) 3.65 7.39 -64.28 2 6 -1 101 421.285 6

Activity (Go SEA)

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