UCSF

ZINC36883455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 2.74 6.8 -103.64 4 2 2 32 202.386 10
Hi High (pH 8-9.5) 2.74 4.69 -40.91 3 2 1 31 201.378 10
Hi High (pH 8-9.5) 2.74 6.42 -32.34 3 2 1 30 201.378 10

Activity (Go SEA)

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