UCSF

ZINC36985101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.34 8.07 -45.07 3 2 1 37 256.369 5
Hi High (pH 8-9.5) 2.34 7.71 -3.79 2 2 0 35 255.361 5

Activity (Go SEA)

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