UCSF

ZINC36959662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.49 5.63 -34.49 3 3 1 46 255.407 6
Hi High (pH 8-9.5) 2.49 4.51 -8.03 2 3 0 41 254.399 6

Activity (Go SEA)

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