UCSF

ZINC40180972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 3.32 9.21 -12.09 1 6 0 69 406.873 7
Lo Low (pH 4.5-6) 3.32 9.65 -37.79 2 6 1 70 407.881 7

Activity (Go SEA)

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