UCSF

ZINC36176968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 2.09 3.17 -36.03 3 3 1 46 287.177 3
Hi High (pH 8-9.5) 2.09 2.67 -3.72 2 3 0 41 286.169 3

Activity (Go SEA)

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