UCSF

ZINC21334818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 3.81 11.35 -42.16 2 4 1 47 349.454 9
Hi High (pH 8-9.5) 3.81 9.24 -13.27 1 4 0 45 348.446 9

Activity (Go SEA)

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