UCSF

ZINC19983146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 1.78 2.89 -13.73 3 5 0 85 281.312 3
Hi High (pH 8-9.5) 1.78 2.94 -39.21 2 5 -1 87 280.304 3

Activity (Go SEA)

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