UCSF

ZINC34986721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 3.25 8.73 -40.64 1 1 1 4 226.702 1
Hi High (pH 8-9.5) 3.25 6.17 -3.22 0 1 0 3 225.694 1

Activity (Go SEA)

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