UCSF

ZINC36666928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 4.83 6.86 -46.85 3 1 1 28 293.626 2
Hi High (pH 8-9.5) 4.83 6.46 -3.08 2 1 0 26 292.618 2

Activity (Go SEA)

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