UCSF

ZINC36975253

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) 6.25 11.87 -43.33 2 1 1 17 367.738 5
Hi High (pH 8-9.5) 6.25 11.32 -2.21 1 1 0 12 366.73 5

Activity (Go SEA)

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