UCSF

ZINC41731020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 2.03 7.48 -29.46 2 3 0 57 217.268 5
Hi High (pH 8-9.5) 2.03 6.25 -46.12 1 3 -1 52 216.26 5

Activity (Go SEA)

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