UCSF

ZINC37840929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.01 3.97 -105.88 3 7 2 75 317.459 6
Hi High (pH 8-9.5) 0.01 1.49 -48.78 2 7 1 74 316.451 6

Activity (Go SEA)

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