UCSF

ZINC36746608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -2.01 -1.39 -63.29 5 6 1 103 286.377 6
Hi High (pH 8-9.5) -2.01 -1.68 -14.93 4 6 0 101 285.369 6

Activity (Go SEA)

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