UCSF

ZINC21800616

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 11 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) 0.88 3.95 -40.76 2 3 1 29 172.277 4
Hi High (pH 8-9.5) 0.88 1.41 -5.93 1 3 0 28 171.269 4

Activity (Go SEA)

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