UCSF

ZINC33767549

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.91 10.24 -57.84 0 7 -1 99 441.492 4
Lo Low (pH 4.5-6) 2.91 8.95 -23.05 1 7 0 96 442.5 4

Activity (Go SEA)

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