UCSF

ZINC20210943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 3.12 2.28 -20.13 2 5 0 70 273.288 3
Hi High (pH 8-9.5) 3.12 3.28 -65.73 1 5 -1 73 272.28 3

Activity (Go SEA)

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