UCSF

ZINC24081096

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 39 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) 5.31 12.22 -59.74 0 7 -1 82 531.673 11
Mid Mid (pH 6-8) 5.31 14.55 -75.68 1 7 0 83 532.681 11

Activity (Go SEA)

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