UCSF

ZINC34979575

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) 0.68 2.57 -45.68 4 4 1 81 224.671 2
Hi High (pH 8-9.5) 0.68 2.26 -7.85 3 4 0 79 223.663 2

Activity (Go SEA)

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