UCSF

ZINC20246101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.16 3.3 -40.4 3 5 1 68 247.322 6
Hi High (pH 8-9.5) 1.16 2.15 -9.54 2 5 0 63 246.314 6

Activity (Go SEA)

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