UCSF

ZINC40749326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 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) 2.08 6.03 -46.24 3 2 1 31 275.441 1
Hi High (pH 8-9.5) 2.09 7.99 -30.42 3 2 1 30 275.441 1

Activity (Go SEA)

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