UCSF

ZINC19775282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.36 6.02 -42.79 4 4 1 60 284.811 7
Hi High (pH 8-9.5) 3.36 3.74 -9.69 3 4 0 58 283.803 7

Activity (Go SEA)

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