UCSF

ZINC12416582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 26 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) 2.13 8.42 -11.58 1 9 0 100 359.386 6
Lo Low (pH 4.5-6) 2.31 8.67 -35.13 2 9 1 105 360.394 6

Activity (Go SEA)

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