UCSF

ZINC20566705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 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) 1.92 4.84 -17.32 3 5 0 73 313.188 3
Lo Low (pH 4.5-6) 1.92 4.95 -34.93 4 5 1 74 314.196 3

Activity (Go SEA)

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