UCSF

ZINC20103350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 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) 2.92 9.84 -21.93 2 6 0 79 334.379 3
Hi High (pH 8-9.5) 2.92 9.38 -50.63 1 6 -1 78 333.371 3

Activity (Go SEA)

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