UCSF

ZINC03640516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 34 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) 1.56 7.45 -42.15 4 14 1 171 471.502 10
Mid Mid (pH 6-8) 1.56 4.91 -17.14 3 14 0 170 470.494 10

Activity (Go SEA)

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