UCSF

ZINC42865559

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.10 3.23 -40.86 3 3 1 43 216.355 5
Mid Mid (pH 6-8) 0.10 0.88 -10.67 2 3 0 42 215.347 5

Activity (Go SEA)

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