UCSF

ZINC36996491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

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) 4.48 8.49 -35.14 2 2 1 20 293.519 4
Lo Low (pH 4.5-6) 4.48 10.74 -108.89 3 2 2 21 294.527 4

Activity (Go SEA)

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