UCSF

ZINC36706213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 6.54 13.93 -10.81 0 5 0 46 499.68 8
Lo Low (pH 4.5-6) 6.54 16.19 -39.44 1 5 1 47 500.688 8

Activity (Go SEA)

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