UCSF

ZINC36678148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 10 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) 0.79 4.31 -40.53 2 2 1 40 139.222 4
Hi High (pH 8-9.5) 0.79 3.43 -7.48 1 2 0 36 138.214 4

Activity (Go SEA)

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