UCSF

ZINC36980739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.07 10.46 -35.46 2 3 1 43 292.443 8
Hi High (pH 8-9.5) 5.07 9.71 -4.07 1 3 0 38 291.435 8

Activity (Go SEA)

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