UCSF

ZINC34612067

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.21 4.13 -3.39 1 2 0 21 163.22 0
Lo Low (pH 4.5-6) 2.21 4.48 -32.63 2 2 1 26 164.228 0

Activity (Go SEA)

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