UCSF

ZINC33293830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 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) 4.41 11.7 -56.71 0 8 -1 102 455.512 9
Lo Low (pH 4.5-6) 0.18 11.99 -72.11 1 8 0 101 456.52 10

Activity (Go SEA)

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