UCSF

ZINC19938479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 37 No

Other Names:

MFCD05155322

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) 2.70 7.19 -59.63 0 9 -1 101 507.563 9
Mid Mid (pH 6-8) 2.70 9.53 -74.92 1 9 0 102 508.571 9

Activity (Go SEA)

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