UCSF

ZINC36975537

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 11.11 -102.52 3 2 2 21 310.913 4
Hi High (pH 8-9.5) 4.71 10.09 -34.13 2 2 1 16 309.905 4
Hi High (pH 8-9.5) 4.71 9.08 -38.91 2 2 1 20 309.905 4

Activity (Go SEA)

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