UCSF

ZINC36726740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 28 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) 4.50 12.35 -27.06 1 7 0 101 398.488 4
Hi High (pH 8-9.5) 4.56 10.52 -60.89 0 7 -1 107 397.48 4

Activity (Go SEA)

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