UCSF

ZINC37817194

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.26 6.81 -45.29 3 3 1 48 281.807 3
Hi High (pH 8-9.5) 2.26 6.53 -7.5 2 3 0 46 280.799 3

Activity (Go SEA)

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