UCSF

ZINC26281663

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 19 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 -2.06 -57.04 2 7 -1 112 266.229 5
Lo Low (pH 4.5-6) -0.36 -2.85 -13.42 3 7 0 109 267.237 5

Activity (Go SEA)

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