UCSF

ZINC19968209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.71 6.79 -60.74 4 3 1 57 346.248 3
Hi High (pH 8-9.5) 1.71 6.51 -7.71 3 3 0 55 345.24 3

Activity (Go SEA)

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