UCSF

ZINC41730927

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 0.60 7.71 -28.72 2 3 0 57 237.343 4
Hi High (pH 8-9.5) 0.60 6.5 -47.51 1 3 -1 52 236.335 4

Activity (Go SEA)

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