UCSF

ZINC20191494

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) 3.41 9.11 -53.89 2 3 1 50 273.4 7
Hi High (pH 8-9.5) 3.41 7.69 -6.16 1 3 0 45 272.392 7

Activity (Go SEA)

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