UCSF

ZINC36769926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.19 3.76 -96.38 5 5 2 78 236.319 3
Hi High (pH 8-9.5) 0.19 3.79 -35.71 4 5 1 76 235.311 3

Activity (Go SEA)

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