UCSF

ZINC37984552

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.42 8.13 -45.3 2 3 1 37 346.314 4
Hi High (pH 8-9.5) 3.42 6.98 -9.07 1 3 0 32 345.306 4

Activity (Go SEA)

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