UCSF

ZINC37984558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 2.95 5.51 -43.59 3 3 1 46 320.276 5
Hi High (pH 8-9.5) 2.95 4.34 -8.05 2 3 0 41 319.268 5

Activity (Go SEA)

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