UCSF

ZINC03645637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 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) 0.39 3.59 -10.58 2 5 0 70 163.184 0
Lo Low (pH 4.5-6) 0.39 4.01 -30.47 3 5 1 71 164.192 0

Activity (Go SEA)

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