UCSF

ZINC34994229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) -0.36 3.05 -54.65 2 6 -1 104 227.24 4
Lo Low (pH 4.5-6) -0.36 1.07 -15.26 3 6 0 101 228.248 4

Activity (Go SEA)

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