UCSF

ZINC38241390

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 4.37 10.46 -56.59 0 6 -1 79 454.93 8
Lo Low (pH 4.5-6) 4.37 9.7 -10.83 1 6 0 76 455.938 8

Activity (Go SEA)

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