UCSF

ZINC42766039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.37 7.07 -14.02 2 2 0 29 302.468 3
Mid Mid (pH 6-8) 3.37 9.17 -52.95 3 2 1 30 303.476 3

Activity (Go SEA)

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