UCSF

ZINC36978499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 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) 0.92 4.62 -46.48 1 4 -1 65 199.255 4
Lo Low (pH 4.5-6) 0.92 5.07 -36.76 2 4 0 66 200.263 4

Activity (Go SEA)

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