UCSF

ZINC05489203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 No

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) 2.14 6.06 -56.9 1 9 -1 136 411.39 8
Mid Mid (pH 6-8) 2.58 -1.88 -26.89 2 9 0 132 412.398 7

Activity (Go SEA)

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