UCSF

ZINC42269084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.67 10.35 -38.18 1 3 1 31 276.4 9
Hi High (pH 8-9.5) 3.67 8.3 -6.85 0 3 0 30 275.392 9

Activity (Go SEA)

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