UCSF

ZINC36966525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.83 8.66 -55.17 1 5 -1 78 292.355 10
Lo Low (pH 4.5-6) 2.83 6.69 -17.54 2 5 0 76 293.363 10

Activity (Go SEA)

Rings

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