UCSF

ZINC06599940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 32 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) 4.69 13.33 -16.09 1 9 0 138 431.404 8
Mid Mid (pH 6-8) 4.88 11.44 -38.1 0 9 -1 144 430.396 8

Activity (Go SEA)

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