UCSF

ZINC19657517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 24 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) 3.14 12.31 -38.64 1 4 1 30 328.48 6
Hi High (pH 8-9.5) 3.14 10.03 -10.91 0 4 0 28 327.472 6

Activity (Go SEA)

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