UCSF

ZINC41655229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.87 8.56 -40.36 0 4 -1 66 407.041 2
Lo Low (pH 4.5-6) 3.87 9.02 -59.35 1 4 0 67 408.049 2

Activity (Go SEA)

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