UCSF

ZINC37815301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.71 -3.1 -45.72 6 7 1 120 257.314 4
Hi High (pH 8-9.5) -1.71 -3.45 -16.72 5 7 0 119 256.306 4

Activity (Go SEA)

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