UCSF

ZINC34957973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 1.93 3.79 -4.51 2 3 0 48 178.235 2
Lo Low (pH 4.5-6) 1.93 4.26 -28.46 3 3 1 49 179.243 2

Activity (Go SEA)

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