UCSF

ZINC24116670

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 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) 2.17 3.83 -64.23 1 8 -1 102 469.489 8
Mid Mid (pH 6-8) 2.17 6.17 -78.56 2 8 0 104 470.497 8

Activity (Go SEA)

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