UCSF

ZINC37820860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.18 0.88 -45.12 5 6 1 92 269.369 3
Hi High (pH 8-9.5) 0.18 -0.37 -15.19 4 6 0 87 268.361 3

Activity (Go SEA)

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