UCSF

ZINC36975541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.71 10.47 -101.14 3 2 2 21 310.913 4
Hi High (pH 8-9.5) 4.71 9.8 -34.94 2 2 1 16 309.905 4
Hi High (pH 8-9.5) 4.71 8.03 -38.4 2 2 1 20 309.905 4

Activity (Go SEA)

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